CID 155858852

2-methyl-6-oxopiperidine-2-carbothioamide

Structural Information

Molecular Formula
C7H12N2OS
SMILES
CC1(CCCC(=O)N1)C(=S)N
InChI
InChI=1S/C7H12N2OS/c1-7(6(8)11)4-2-3-5(10)9-7/h2-4H2,1H3,(H2,8,11)(H,9,10)
InChIKey
FVXLOIUNJKYAJN-UHFFFAOYSA-N
Compound name
2-methyl-6-oxopiperidine-2-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

172.06703 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.07431 135.7
[M+Na]+ 195.05625 141.7
[M-H]- 171.05975 135.7
[M+NH4]+ 190.10085 155.7
[M+K]+ 211.03019 138.6
[M+H-H2O]+ 155.06429 130.8
[M+HCOO]- 217.06523 148.3
[M+CH3COO]- 231.08088 176.2
[M+Na-2H]- 193.04170 137.2
[M]+ 172.06648 129.9
[M]- 172.06758 129.9
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.