CID 14966266

2-(3,4-dimethoxyphenyl)propanoic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

129
Patents

210.0892 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.09648 143.8
[M+Na]+ 233.07842 151.3
[M-H]- 209.08192 146.5
[M+NH4]+ 228.12302 162.1
[M+K]+ 249.05236 150.7
[M+H-H2O]+ 193.08646 138.1
[M+HCOO]- 255.08740 165.3
[M+CH3COO]- 269.10305 186.1
[M+Na-2H]- 231.06387 146.7
[M]+ 210.08865 147.2
[M]- 210.08975 147.2
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