CID 3037748

Carbamic acid, (2-sulfoethyl)dithio-, diammonium salt

Structural Information

Molecular Formula
C3H7NO3S3
SMILES
C(CS(=O)(=O)O)NC(=S)S
InChI
InChI=1S/C3H7NO3S3/c5-10(6,7)2-1-4-3(8)9/h1-2H2,(H2,4,8,9)(H,5,6,7)
InChIKey
ZKYZGNGMJQNJTJ-UHFFFAOYSA-N
Compound name
2-(dithiocarboxyamino)ethanesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.9588 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.96608 139.3
[M+Na]+ 223.94802 145.6
[M-H]- 199.95152 136.9
[M+NH4]+ 218.99262 156.7
[M+K]+ 239.92196 139.7
[M+H-H2O]+ 183.95606 133.6
[M+HCOO]- 245.95700 143.9
[M+CH3COO]- 259.97265 179.2
[M+Na-2H]- 221.93347 140.1
[M]+ 200.95825 139.0
[M]- 200.95935 139.0
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.