CID 67112

4-ethoxy-3-methoxyphenylacetic acid

Structural Information

Molecular Formula
C11H14O4
SMILES
CCOC1=C(C=C(C=C1)CC(=O)O)OC
InChI
InChI=1S/C11H14O4/c1-3-15-9-5-4-8(7-11(12)13)6-10(9)14-2/h4-6H,3,7H2,1-2H3,(H,12,13)
InChIKey
XVNXRPVJRCYHEW-UHFFFAOYSA-N
Compound name
2-(4-ethoxy-3-methoxyphenyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

70
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 143.8
[M+Na]+ 233.078418 151.7
[M-H]- 209.081924 146.4
[M+NH4]+ 228.123023 162.3
[M+K]+ 249.052358 150.5
[M+H-H2O]+ 193.086460 138.0
[M+HCOO]- 255.087401 166.3
[M+CH3COO]- 269.103051 185.2
[M+Na-2H]- 231.063866 148.0
[M]+ 210.08865142 147.9
[M]- 210.08974858 147.9
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