CID 24709419

3-(2-oxopyrrolidin-1-yl)propanethioamide

Structural Information

Molecular Formula
C7H12N2OS
SMILES
C1CC(=O)N(C1)CCC(=S)N
InChI
InChI=1S/C7H12N2OS/c8-6(11)3-5-9-4-1-2-7(9)10/h1-5H2,(H2,8,11)
InChIKey
LWBQMVAFKWIQDN-UHFFFAOYSA-N
Compound name
3-(2-oxopyrrolidin-1-yl)propanethioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

172.06703 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.074306 137.7
[M+Na]+ 195.056248 144.5
[M-H]- 171.059754 139.3
[M+NH4]+ 190.100853 158.4
[M+K]+ 211.030188 142.1
[M+H-H2O]+ 155.064290 131.6
[M+HCOO]- 217.065231 154.0
[M+CH3COO]- 231.080881 178.9
[M+Na-2H]- 193.041696 136.7
[M]+ 172.06648142 135.5
[M]- 172.06757858 135.5
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.