Spectrum PR100190 for Piperidine

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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
Piperidines
InChI=1S/C5H11N/c1-2-4-6-5-3-1/h6H,1-5H2
NQRYJNQNLNOLGT-UHFFFAOYSA-N
C5H11N
85.08914935199999
N1CCCCC1

Mass Spectral Metadata

NameValue
PR100190
2016.01.19 (Created 2009.09.10, modified 2011.05.06)
Matsuda F, Suzuki M, Sawada Y, Plant Science Center, RIKEN.
CC BY-SA
Acquisition and generation of the data is financially supported in part by CREST/JST.
85.08915
UPLC Q-Tof Premier, Waters
LC-ESI-QTOF
MS2
30 V
Continuum
600.0 L/Hr
400 C
LOW-ENERGY CID
ESI
120 C
3.0 kV
23.0 V
CH3CN(0.1%HCOOH)/ H2O(0.1%HCOOH)
positive
0.26052225147955194
0.375854160250777
86.09694
[M+H]+
2.083140236915596 ppm
-1.7935199998930784E-4 Da