CID 9588264

N-(3-methyl-2-thiazolidinylidene)sulfamic acid sodium salt

Structural Information

Molecular Formula
C4H8N2O3S2
SMILES
CN\1CCS/C1=N/S(=O)(=O)O
InChI
InChI=1S/C4H8N2O3S2/c1-6-2-3-10-4(6)5-11(7,8)9/h2-3H2,1H3,(H,7,8,9)/b5-4+
InChIKey
AGVOZPCXGHEFFG-SNAWJCMRSA-N
Compound name
(E)-(3-methyl-1,3-thiazolidin-2-ylidene)sulfamic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.99763 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.00491 139.3
[M+Na]+ 218.98685 147.9
[M-H]- 194.99035 141.6
[M+NH4]+ 214.03145 159.4
[M+K]+ 234.96079 145.2
[M+H-H2O]+ 178.99489 134.1
[M+HCOO]- 240.99583 151.5
[M+CH3COO]- 255.01148 177.7
[M+Na-2H]- 216.97230 140.8
[M]+ 195.99708 140.0
[M]- 195.99818 140.0
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.