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

4
Patents

153.99359 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.000866 126.1
[M+Na]+ 176.982808 134.0
[M-H]- 152.986314 124.1
[M+NH4]+ 172.027413 145.9
[M+K]+ 192.956748 132.7
[M+H-H2O]+ 136.990850 122.1
[M+HCOO]- 198.991791 141.4
[M+CH3COO]- 213.007441 165.4
[M+Na-2H]- 174.968256 130.0
[M]+ 153.99304142 128.4
[M]- 153.99413858 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

literature stripe

Patent stripe

patents stripe