CID 3088185

3-(2-oxo-1-pyrrolidinyl)propyl carbamimidothioate hydrochloride

Structural Information

Molecular Formula
C8H15N3OS
SMILES
C1CC(=O)N(C1)CCCSC(=N)N
InChI
InChI=1S/C8H15N3OS/c9-8(10)13-6-2-5-11-4-1-3-7(11)12/h1-6H2,(H3,9,10)
InChIKey
MVJBCZLTCBJWSO-UHFFFAOYSA-N
Compound name
3-(2-oxopyrrolidin-1-yl)propyl carbamimidothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.09358 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.10086 145.2
[M+Na]+ 224.08280 150.7
[M-H]- 200.08630 146.5
[M+NH4]+ 219.12740 164.4
[M+K]+ 240.05674 147.9
[M+H-H2O]+ 184.09084 138.4
[M+HCOO]- 246.09178 162.2
[M+CH3COO]- 260.10743 186.3
[M+Na-2H]- 222.06825 144.4
[M]+ 201.09303 142.5
[M]- 201.09413 142.5
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.