CID 57304055

Sulfinosuccinate

Structural Information

Molecular Formula
C4H6O6S
SMILES
C(C(C(=O)O)S(=O)O)C(=O)O
InChI
InChI=1S/C4H6O6S/c5-3(6)1-2(4(7)8)11(9)10/h2H,1H2,(H,5,6)(H,7,8)(H,9,10)
InChIKey
MJRPJEOIZLZATH-UHFFFAOYSA-N
Compound name
2-sulfinobutanedioic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

181.98851 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.99579 133.0
[M+Na]+ 204.97773 138.6
[M-H]- 180.98123 129.2
[M+NH4]+ 200.02233 150.3
[M+K]+ 220.95167 137.9
[M+H-H2O]+ 164.98577 128.3
[M+HCOO]- 226.98671 145.1
[M+CH3COO]- 241.00236 170.8
[M+Na-2H]- 202.96318 131.8
[M]+ 181.98796 133.8
[M]- 181.98906 133.8
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.