CID 31257

Sulfoacetic acid

Structural Information

Molecular Formula
C2H4O5S
SMILES
C(C(=O)O)S(=O)(=O)O
InChI
InChI=1S/C2H4O5S/c3-2(4)1-8(5,6)7/h1H2,(H,3,4)(H,5,6,7)
InChIKey
AGGIJOLULBJGTQ-UHFFFAOYSA-N
Compound name
2-sulfoacetic acid
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

14
References

11788
Patents

139.97795 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.985226 121.6
[M+Na]+ 162.967168 129.9
[M-H]- 138.970674 119.8
[M+NH4]+ 158.011773 141.9
[M+K]+ 178.941108 128.9
[M+H-H2O]+ 122.975210 117.8
[M+HCOO]- 184.976151 137.3
[M+CH3COO]- 198.991801 162.4
[M+Na-2H]- 160.952616 126.0
[M]+ 139.97740142 123.5
[M]- 139.97849858 123.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe