CID 3030637

Piperidine-2-thione

Structural Information

Molecular Formula
C5H9NS
SMILES
C1CCNC(=S)C1
InChI
InChI=1S/C5H9NS/c7-5-3-1-2-4-6-5/h1-4H2,(H,6,7)
InChIKey
GCVHYGRJLCAOGI-UHFFFAOYSA-N
Compound name
piperidine-2-thione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

413
Patents

115.04557 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.052846 121.3
[M+Na]+ 138.034788 127.5
[M-H]- 114.038294 121.7
[M+NH4]+ 133.079393 142.2
[M+K]+ 154.008728 124.9
[M+H-H2O]+ 98.042830 115.9
[M+HCOO]- 160.043771 134.9
[M+CH3COO]- 174.059421 163.3
[M+Na-2H]- 136.020236 124.6
[M]+ 115.04502142 115.6
[M]- 115.04611858 115.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe