Spectrum PT103233 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
Piperidine
85.15
C5H11N
85.08914935199999
N1CCCCC1
InChI=1S/C5H11N/c1-2-4-6-5-3-1/h6H,1-5H2
NQRYJNQNLNOLGT-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
PT103233
Matsuda F, Suzuki M, Sawada Y, Plant Science Center, RIKEN.
Copyright(C) 2009 Plant Science Center, RIKEN
Q-Tof Premier, Waters
LC-Q-TOF/MS
ESI
120 C
Q
Q
LOW-ENERGY CID
30 V
TOF
Continuum
CH3CN/H2O
3.0 kV
23.0 V
[M+H]+
MS2
positive
0.26052225147955194
0.375854160250777
86.09694
[M+H]+
2.083140236915596 ppm
-1.7935199998930784E-4 Da