CID 6453749

5906-94-5

Structural Information

Molecular Formula
C7H12O6S
SMILES
CC(=C)C(=O)OCC(CS(=O)(=O)O)O
InChI
InChI=1S/C7H12O6S/c1-5(2)7(9)13-3-6(8)4-14(10,11)12/h6,8H,1,3-4H2,2H3,(H,10,11,12)
InChIKey
SQVSEQUIWOQWAH-UHFFFAOYSA-N
Compound name
2-hydroxy-3-(2-methylprop-2-enoyloxy)propane-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3743
Patents

224.03546 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.04274 144.8
[M+Na]+ 247.02468 150.6
[M-H]- 223.02818 142.2
[M+NH4]+ 242.06928 161.5
[M+K]+ 262.99862 149.4
[M+H-H2O]+ 207.03272 140.2
[M+HCOO]- 269.03366 157.3
[M+CH3COO]- 283.04931 179.9
[M+Na-2H]- 245.01013 144.9
[M]+ 224.03491 148.0
[M]- 224.03601 148.0
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