CID 3088183

Carbamimidothioic acid, 2-(2-oxo-1-pyrrolidinyl)ethyl ester, monohydrochloride

Structural Information

Molecular Formula
C7H13N3OS
SMILES
C1CC(=O)N(C1)CCSC(=N)N
InChI
InChI=1S/C7H13N3OS/c8-7(9)12-5-4-10-3-1-2-6(10)11/h1-5H2,(H3,8,9)
InChIKey
MNVRWLSSUTXHBX-UHFFFAOYSA-N
Compound name
2-(2-oxopyrrolidin-1-yl)ethyl carbamimidothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

187.07793 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.08521 141.0
[M+Na]+ 210.06715 146.8
[M-H]- 186.07065 142.4
[M+NH4]+ 205.11175 160.7
[M+K]+ 226.04109 144.3
[M+H-H2O]+ 170.07519 134.3
[M+HCOO]- 232.07613 158.2
[M+CH3COO]- 246.09178 183.2
[M+Na-2H]- 208.05260 140.6
[M]+ 187.07738 137.9
[M]- 187.07848 137.9
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.