CID 314929

3-(2,3-dimethoxyphenyl)propanoic acid

Structural Information

Molecular Formula
C11H14O4
SMILES
COC1=CC=CC(=C1OC)CCC(=O)O
InChI
InChI=1S/C11H14O4/c1-14-9-5-3-4-8(11(9)15-2)6-7-10(12)13/h3-5H,6-7H2,1-2H3,(H,12,13)
InChIKey
QPHAUUNQQLRYCJ-UHFFFAOYSA-N
Compound name
3-(2,3-dimethoxyphenyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

87
Patents

210.0892 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.09648 144.8
[M+Na]+ 233.07842 156.4
[M+NH4]+ 228.12302 151.7
[M+K]+ 249.05236 151.4
[M-H]- 209.08192 145.2
[M+Na-2H]- 231.06387 149.7
[M]+ 210.08865 146.4
[M]- 210.08975 146.4
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