CID 159157

2-propenoic acid, 2-methyl-, 3-sulfopropyl ester, potassium salt (1:1)

Structural Information

Molecular Formula
C7H12O5S
SMILES
CC(=C)C(=O)OCCCS(=O)(=O)O
InChI
InChI=1S/C7H12O5S/c1-6(2)7(8)12-4-3-5-13(9,10)11/h1,3-5H2,2H3,(H,9,10,11)
InChIKey
KFNGWPXYNSJXOP-UHFFFAOYSA-N
Compound name
3-(2-methylprop-2-enoyloxy)propane-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

41
References

17534
Patents

208.04054 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.04782 141.9
[M+Na]+ 231.02976 148.7
[M-H]- 207.03326 140.9
[M+NH4]+ 226.07436 160.3
[M+K]+ 247.00370 147.4
[M+H-H2O]+ 191.03780 137.3
[M+HCOO]- 253.03874 156.8
[M+CH3COO]- 267.05439 179.2
[M+Na-2H]- 229.01521 143.4
[M]+ 208.03999 146.3
[M]- 208.04109 146.3
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