ACCESSION: MSBNK-EPA-ENTACT_AGILENT002402
RECORD_TITLE: 1,3-Cyclohexanedimethanamine; ESI-QTOF; MS2; CE: 40; [M+H]+
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 1,3-Cyclohexanedimethanamine
CH$NAME: DTXSID4041238
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₈N₂
CH$EXACT_MASS: 142.146998589
CH$SMILES: NCC1CC(CCC1)CN
CH$IUPAC: InChI=1S/C8H18N2/c9-5-7-2-1-3-8(4-7)6-10/h7-8H,1-6,9-10H2
CH$LINK: CAS 2579-20-6
CH$LINK: INCHIKEY QLBRROYTTDFLDX-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:17406

AC$INSTRUMENT: N/A
AC$INSTRUMENT_TYPE: ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40

MS$FOCUSED_ION: PRECURSOR_M/Z 143.1542750407
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-014l-9000000000-36993d9477882cf352e0
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
  29.038577 1.148999 11
  30.033826 1.031314 10
  39.022927 7.407501 74
  41.038577 61.619033 615
  43.054227 9.879569 98
  44.049476 1.151265 11
  53.038577 5.600504 55
  55.054227 31.379326 313
  65.038577 15.023881 150
  67.054227 100 999
  69.069877 1.817048 18
  77.038577 3.740458 37
  79.054227 18.475907 184
  81.069877 10.917648 109
  91.054227 2.669628 26
  109.101177 4.184421 41
  126.127726 3.187541 31
//