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 150.6
[M+Na]+ 238.09846 155.9
[M-H]- 214.10196 152.0
[M+NH4]+ 233.14306 169.3
[M+K]+ 254.07240 153.4
[M+H-H2O]+ 198.10650 144.3
[M+HCOO]- 260.10744 165.6
[M+CH3COO]- 274.12309 189.6
[M+Na-2H]- 236.08391 150.1
[M]+ 215.10869 147.7
[M]- 215.10979 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.