CID 23348022

Acetic acid, hydroxysulfo-, disodium salt

Structural Information

Molecular Formula
C2H4O6S
SMILES
C(C(=O)O)(O)S(=O)(=O)O
InChI
InChI=1S/C2H4O6S/c3-1(4)2(5)9(6,7)8/h2,5H,(H,3,4)(H,6,7,8)
InChIKey
CEFDWZDNAJAKGO-UHFFFAOYSA-N
Compound name
2-hydroxy-2-sulfoacetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2122
Patents

155.97285 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.98013 124.6
[M+Na]+ 178.96207 131.9
[M-H]- 154.96557 121.3
[M+NH4]+ 174.00667 143.3
[M+K]+ 194.93601 131.0
[M+H-H2O]+ 138.97011 120.8
[M+HCOO]- 200.97105 137.9
[M+CH3COO]- 214.98670 163.1
[M+Na-2H]- 176.94752 127.6
[M]+ 155.97230 125.4
[M]- 155.97340 125.4
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

patents stripe