CID 165654607

1,2-dimethyl-5-oxopyrrolidine-2-carbothioamide

Structural Information

Molecular Formula
C7H12N2OS
SMILES
CC1(CCC(=O)N1C)C(=S)N
InChI
InChI=1S/C7H12N2OS/c1-7(6(8)11)4-3-5(10)9(7)2/h3-4H2,1-2H3,(H2,8,11)
InChIKey
RGPZENYEGMVNTA-UHFFFAOYSA-N
Compound name
1,2-dimethyl-5-oxopyrrolidine-2-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

172.06703 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.074306 134.9
[M+Na]+ 195.056248 143.4
[M-H]- 171.059754 137.1
[M+NH4]+ 190.100853 158.0
[M+K]+ 211.030188 141.2
[M+H-H2O]+ 155.064290 130.4
[M+HCOO]- 217.065231 151.2
[M+CH3COO]- 231.080881 179.6
[M+Na-2H]- 193.041696 135.0
[M]+ 172.06648142 133.5
[M]- 172.06757858 133.5
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.