CID 64444251

1-acetylpiperidine-3-carbothioamide

Structural Information

Molecular Formula
C8H14N2OS
SMILES
CC(=O)N1CCCC(C1)C(=S)N
InChI
InChI=1S/C8H14N2OS/c1-6(11)10-4-2-3-7(5-10)8(9)12/h7H,2-5H2,1H3,(H2,9,12)
InChIKey
RLUZPIUXYSGCSN-UHFFFAOYSA-N
Compound name
1-acetylpiperidine-3-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

186.08269 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.08997 141.0
[M+Na]+ 209.07191 146.0
[M-H]- 185.07541 142.1
[M+NH4]+ 204.11651 159.2
[M+K]+ 225.04585 143.7
[M+H-H2O]+ 169.07995 134.7
[M+HCOO]- 231.08089 153.8
[M+CH3COO]- 245.09654 182.5
[M+Na-2H]- 207.05736 139.9
[M]+ 186.08214 136.3
[M]- 186.08324 136.3
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

No patent data available for this compound.