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]+ 216.116516 150.6
[M+Na]+ 238.098458 155.9
[M-H]- 214.101964 152.0
[M+NH4]+ 233.143063 169.3
[M+K]+ 254.072398 153.4
[M+H-H2O]+ 198.106500 144.3
[M+HCOO]- 260.107441 165.6
[M+CH3COO]- 274.123091 189.6
[M+Na-2H]- 236.083906 150.1
[M]+ 215.10869142 147.7
[M]- 215.10978858 147.7
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.