CID 86289124

3-sulfolactaldehyde(1-)

Structural Information

Molecular Formula
C3H6O5S
SMILES
C(C(C=O)O)S(=O)(=O)O
InChI
InChI=1S/C3H6O5S/c4-1-3(5)2-9(6,7)8/h1,3,5H,2H2,(H,6,7,8)
InChIKey
GVEIZEMJOBQMCQ-UHFFFAOYSA-N
Compound name
2-hydroxy-3-oxopropane-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

0
Patents

153.99359 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.00087 129.4
[M+Na]+ 176.98281 136.7
[M+NH4]+ 172.02741 134.7
[M+K]+ 192.95675 133.4
[M-H]- 152.98631 124.9
[M+Na-2H]- 174.96826 129.8
[M]+ 153.99304 129.1
[M]- 153.99414 129.1
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

No patent data available for this compound.