Spectrum FiehnHILIC002387 for Tripelennamine

Rating: (*)★(*)★(*)★(*)★(*)★
  • Originally submitted to the Fiehn Lab HILIC Library

Compound Information

Chemical Names

Compound Classification (provided by ClassyFire)

ClassyFire is a freely accessible computational tool that uses the ChemOnt taxonomy to classify chemical entities based on their structure. ClassyFire combines structure search, IUPAC name parsing, and evaluation of logical expressions to retrieve structural features, which are then mapped to the corresponding ChemOnt classes.

Compound Metadata

NameValue
UFLGIAIHIAPJJC-UHFFFAOYSA-N
C16H21N3
255.17354767199998
N=1C=CC=CC1N(CC=2C=CC=CC2)CCN(C)C
InChI=1S/C16H21N3/c1-18(2)12-13-19(16-10-6-7-11-17-16)14-15-8-4-3-5-9-15/h3-11H,12-14H2,1-2H3

Mass Spectral Metadata

NameValue
M + 0
15 eV
positive
2.044683
35 eV
172
LC-ESI-QTOF
SCIEX TripleTOF 6600
Michael Sa and Megan Showalter
MS2
Waters Acquity UPLC BEH Amide column (2.1 x 150mm: 1.7µm)
2.36559270811105
0.3919476407239112
256.1821
[M+H]+
2.2731018287664804 ppm
5.823280000072373E-4 Da