CID 3033456

2-mercaptoethyldithiocarbamic acid

Structural Information

Molecular Formula
C3H7NS3
SMILES
C(CS)NC(=S)S
InChI
InChI=1S/C3H7NS3/c5-2-1-4-3(6)7/h5H,1-2H2,(H2,4,6,7)
InChIKey
KWBONOZGPBYFIH-UHFFFAOYSA-N
Compound name
2-sulfanylethylcarbamodithioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

152.97406 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.98134 127.4
[M+Na]+ 175.96328 135.4
[M+NH4]+ 171.00788 136.7
[M+K]+ 191.93722 125.4
[M-H]- 151.96678 128.5
[M+Na-2H]- 173.94873 129.1
[M]+ 152.97351 130.0
[M]- 152.97461 130.0
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.