CID 109981

Carbamimidothioic acid, 2-butenyl ester, monohydrochloride

Structural Information

Molecular Formula
C5H10N2S
SMILES
C/C=C/CSC(=N)N
InChI
InChI=1S/C5H10N2S/c1-2-3-4-8-5(6)7/h2-3H,4H2,1H3,(H3,6,7)/b3-2+
InChIKey
WKFPUIFTJXBUJB-NSCUHMNNSA-N
Compound name
[(E)-but-2-enyl] carbamimidothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

130.05647 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.06375 128.1
[M+Na]+ 153.04569 136.0
[M+NH4]+ 148.09029 136.1
[M+K]+ 169.01963 129.0
[M-H]- 129.04919 128.5
[M+Na-2H]- 151.03114 130.8
[M]+ 130.05592 129.4
[M]- 130.05702 129.4
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.