CID 3088187

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

Structural Information

Molecular Formula
C9H17N3OS
SMILES
CC(C)(CSC(=N)N)N1CCCC1=O
InChI
InChI=1S/C9H17N3OS/c1-9(2,6-14-8(10)11)12-5-3-4-7(12)13/h3-6H2,1-2H3,(H3,10,11)
InChIKey
HADMCDAZUFFLPT-UHFFFAOYSA-N
Compound name
[2-methyl-2-(2-oxopyrrolidin-1-yl)propyl] carbamimidothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.10924 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.11652 150.8
[M+Na]+ 238.09846 156.3
[M+NH4]+ 233.14306 157.3
[M+K]+ 254.07240 152.8
[M-H]- 214.10196 150.6
[M+Na-2H]- 236.08391 152.1
[M]+ 215.10869 151.4
[M]- 215.10979 151.4
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.