CID 6303116

63589-56-0

Structural Information

Molecular Formula
C10H12O4S
SMILES
C/C=C/C1=CC(=C(C=C1)OC)S(=O)(=O)O
InChI
InChI=1S/C10H12O4S/c1-3-4-8-5-6-9(14-2)10(7-8)15(11,12)13/h3-7H,1-2H3,(H,11,12,13)/b4-3+
InChIKey
OMDLJUUFLOVMQL-ONEGZZNKSA-N
Compound name
2-methoxy-5-[(E)-prop-1-enyl]benzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

207
Patents

228.04562 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.05290 149.3
[M+Na]+ 251.03484 160.5
[M+NH4]+ 246.07944 155.9
[M+K]+ 267.00878 153.8
[M-H]- 227.03834 149.0
[M+Na-2H]- 249.02029 153.5
[M]+ 228.04507 151.1
[M]- 228.04617 151.1
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

patents stripe