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]+ 173.07431 137.7
[M+Na]+ 195.05625 144.5
[M-H]- 171.05975 139.3
[M+NH4]+ 190.10085 158.4
[M+K]+ 211.03019 142.1
[M+H-H2O]+ 155.06429 131.6
[M+HCOO]- 217.06523 154.0
[M+CH3COO]- 231.08088 178.9
[M+Na-2H]- 193.04170 136.7
[M]+ 172.06648 135.5
[M]- 172.06758 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.