ACCESSION: MSBNK-EPA-ENTACT_AGILENT000222
RECORD_TITLE: 3-{[3-(Dimethylamino)propyl]amino}propanenitrile; ESI-QTOF; MS2; CE: 40; [M+H]+
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 3-{[3-(Dimethylamino)propyl]amino}propanenitrile
CH$NAME: DTXSID1044980
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₇N₃
CH$EXACT_MASS: 155.1422475645
CH$SMILES: CN(C)CCCNCCC#N
CH$IUPAC: InChI=1S/C8H17N3/c1-11(2)8-4-7-10-6-3-5-9/h10H,3-4,6-8H2,1-2H3
CH$LINK: CAS 69852-45-5
CH$LINK: INCHIKEY YALMGFWDBZZMMB-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:112322

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$FOCUSED_ION: PRECURSOR_M/Z 156.1495240162
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0a4i-9000000000-f2be632cbc25d837f943
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
  41.038577 2.20213 21
  42.033826 25.8013 257
  43.041651 5.088869 50
  44.049476 1.170273 11
  46.065126 1.191266 11
  54.033826 13.883162 138
  56.049476 3.458315 34
  58.065126 100 999
  70.065126 3.447402 34
  71.072951 1.282965 12
  79.016498 1.142395 11
  83.060375 2.916042 29
  86.096426 2.327904 23
//