ACCESSION: MSBNK-EPA-ENTACT_AGILENT002403
RECORD_TITLE: 1,3-Cyclohexanedimethanamine; ESI-QTOF; MS2; CE: 20; [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 20

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$SPLASH: splash10-05r0-7900000000-842ab68213f3dd9ddeb6
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
  30.033826 2.102908 21
  41.038577 3.500461 34
  43.054227 6.523778 65
  44.049476 2.059835 20
  55.054227 8.4382 84
  67.054227 98.368505 982
  79.054227 2.2845 22
  81.069877 11.142687 111
  83.085527 1.376777 13
  91.054227 1.405992 14
  107.085527 1.78582 17
  109.101177 52.988886 529
  126.127726 100.000001 999
//