CID 28063559

Piperidine-4-carbothioamide

Structural Information

Molecular Formula
C6H12N2S
SMILES
C1CNCCC1C(=S)N
InChI
InChI=1S/C6H12N2S/c7-6(9)5-1-3-8-4-2-5/h5,8H,1-4H2,(H2,7,9)
InChIKey
LXOBYAWHAIZPPU-UHFFFAOYSA-N
Compound name
piperidine-4-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

113
Patents

144.07211 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.079386 130.0
[M+Na]+ 167.061328 134.6
[M-H]- 143.064834 129.6
[M+NH4]+ 162.105933 149.0
[M+K]+ 183.035268 131.5
[M+H-H2O]+ 127.069370 124.1
[M+HCOO]- 189.070311 142.6
[M+CH3COO]- 203.085961 171.3
[M+Na-2H]- 165.046776 131.2
[M]+ 144.07156142 122.3
[M]- 144.07265858 122.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe