ACCESSION: MSBNK-EPA-ENTACT_AGILENT002401
RECORD_TITLE: 1,3-Cyclohexanedimethanamine; ESI-QTOF; MS2; CE: 10; [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 10

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$SPLASH: splash10-004i-0900000000-5e4732935b803317e72f
PK$NUM_PEAK: 6
PK$PEAK: m/z int. rel.int.
  67.054227 13.946092 139
  81.069877 1.822258 18
  108.080776 1.117265 11
  109.101177 21.418586 213
  126.127726 99.999998 999
  143.154275 28.637679 286
//