CID 69053128

87387-83-5

Structural Information

Molecular Formula
C11H14O4
SMILES
COC1=CC=C(C=C1)CC(C(=O)O)OC
InChI
InChI=1S/C11H14O4/c1-14-9-5-3-8(4-6-9)7-10(15-2)11(12)13/h3-6,10H,7H2,1-2H3,(H,12,13)
InChIKey
OGJKUGGZOYNPSS-UHFFFAOYSA-N
Compound name
2-methoxy-3-(4-methoxyphenyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

6
Patents

210.0892 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.096476 144.7
[M+Na]+ 233.078418 151.4
[M-H]- 209.081924 147.0
[M+NH4]+ 228.123023 162.8
[M+K]+ 249.052358 150.6
[M+H-H2O]+ 193.086460 138.8
[M+HCOO]- 255.087401 166.3
[M+CH3COO]- 269.103051 184.9
[M+Na-2H]- 231.063866 148.3
[M]+ 210.08865142 147.7
[M]- 210.08974858 147.7
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