CID 3650004

Methanesulfonic acid 4-formyl-2-methoxy-phenyl ester

Structural Information

Molecular Formula
C9H10O5S
SMILES
COC1=C(C=CC(=C1)C=O)OS(=O)(=O)C
InChI
InChI=1S/C9H10O5S/c1-13-9-5-7(6-10)3-4-8(9)14-15(2,11)12/h3-6H,1-2H3
InChIKey
ZNASTXYIFMYILW-UHFFFAOYSA-N
Compound name
(4-formyl-2-methoxyphenyl) methanesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

22
Patents

230.02489 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.03217 144.1
[M+Na]+ 253.01411 154.0
[M-H]- 229.01761 148.7
[M+NH4]+ 248.05871 162.8
[M+K]+ 268.98805 152.2
[M+H-H2O]+ 213.02215 138.5
[M+HCOO]- 275.02309 163.5
[M+CH3COO]- 289.03874 185.6
[M+Na-2H]- 250.99956 148.8
[M]+ 230.02434 151.5
[M]- 230.02544 151.5
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