CID 49859585

1-hydroxy-2-oxo-3-sulfopropane

Structural Information

Molecular Formula
C3H6O5S
SMILES
C(C(=O)CS(=O)(=O)O)O
InChI
InChI=1S/C3H6O5S/c4-1-3(5)2-9(6,7)8/h4H,1-2H2,(H,6,7,8)
InChIKey
MZULZEBLIRPPES-UHFFFAOYSA-N
Compound name
3-hydroxy-2-oxopropane-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

6
Patents

153.99359 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.00087 126.1
[M+Na]+ 176.98281 134.0
[M-H]- 152.98631 124.1
[M+NH4]+ 172.02741 145.9
[M+K]+ 192.95675 132.7
[M+H-H2O]+ 136.99085 122.1
[M+HCOO]- 198.99179 141.4
[M+CH3COO]- 213.00744 165.4
[M+Na-2H]- 174.96826 130.0
[M]+ 153.99304 128.4
[M]- 153.99414 128.4
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