CID 9149804

3-(2-ethoxy-3-methoxyphenyl)propanoic acid

Structural Information

Molecular Formula
C12H16O4
SMILES
CCOC1=C(C=CC=C1OC)CCC(=O)O
InChI
InChI=1S/C12H16O4/c1-3-16-12-9(7-8-11(13)14)5-4-6-10(12)15-2/h4-6H,3,7-8H2,1-2H3,(H,13,14)
InChIKey
UMHUEEUKPMGPIL-UHFFFAOYSA-N
Compound name
3-(2-ethoxy-3-methoxyphenyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

224.10486 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.112136 148.5
[M+Na]+ 247.094078 155.9
[M-H]- 223.097584 150.9
[M+NH4]+ 242.138683 166.4
[M+K]+ 263.068018 154.5
[M+H-H2O]+ 207.102120 142.5
[M+HCOO]- 269.103061 170.7
[M+CH3COO]- 283.118711 188.2
[M+Na-2H]- 245.079526 152.1
[M]+ 224.10431142 152.9
[M]- 224.10540858 152.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe