ACCESSION: MSBNK-EPA-ENTACT_AGILENT000084
RECORD_TITLE: 1,2-Cyclohexanediamine; ESI-QTOF; MS2; CE: 10; [M+H]+
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 1,2-Cyclohexanediamine
CH$NAME: DTXSID0027301
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₁₄N₂
CH$EXACT_MASS: 114.1156984614
CH$SMILES: NC1CCCCC1N
CH$IUPAC: InChI=1S/C6H14N2/c7-5-3-1-2-4-6(5)8/h5-6H,1-4,7-8H2
CH$LINK: CAS 694-83-7
CH$LINK: INCHIKEY SSJXIUAHEKJCMH-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:4610

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$FOCUSED_ION: PRECURSOR_M/Z 115.1229749131
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0002-9100000000-1f30486695a5a2f9c179
PK$NUM_PEAK: 4
PK$PEAK: m/z int. rel.int.
  56.049476 11.733636 117
  81.069877 29.092378 290
  98.096426 99.999998 999
  115.122975 20.32873 203
//