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

122
Patents

144.07211 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.07939 130.0
[M+Na]+ 167.06133 134.6
[M-H]- 143.06483 129.6
[M+NH4]+ 162.10593 149.0
[M+K]+ 183.03527 131.5
[M+H-H2O]+ 127.06937 124.1
[M+HCOO]- 189.07031 142.6
[M+CH3COO]- 203.08596 171.3
[M+Na-2H]- 165.04678 131.2
[M]+ 144.07156 122.3
[M]- 144.07266 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