CID 14007811

2-sulfoethylacrylat

Structural Information

Molecular Formula
C5H8O5S
SMILES
C=CC(=O)OCCS(=O)(=O)O
InChI
InChI=1S/C5H8O5S/c1-2-5(6)10-3-4-11(7,8)9/h2H,1,3-4H2,(H,7,8,9)
InChIKey
GQTFHSAAODFMHB-UHFFFAOYSA-N
Compound name
2-prop-2-enoyloxyethanesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10130
Patents

180.00925 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.016526 133.3
[M+Na]+ 202.998468 141.3
[M-H]- 179.001974 132.6
[M+NH4]+ 198.043073 152.9
[M+K]+ 218.972408 139.9
[M+H-H2O]+ 163.006510 129.0
[M+HCOO]- 225.007451 149.8
[M+CH3COO]- 239.023101 172.3
[M+Na-2H]- 200.983916 136.8
[M]+ 180.00870142 137.6
[M]- 180.00979858 137.6
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