CID 86092

2-propenoic acid, 3-(3,5-dimethoxyphenyl)-

Structural Information

Molecular Formula
C11H12O4
SMILES
COC1=CC(=CC(=C1)C=CC(=O)O)OC
InChI
InChI=1S/C11H12O4/c1-14-9-5-8(3-4-11(12)13)6-10(7-9)15-2/h3-7H,1-2H3,(H,12,13)
InChIKey
VLSRUFWCGBMYDJ-UHFFFAOYSA-N
Compound name
3-(3,5-dimethoxyphenyl)prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

222
Patents

208.07356 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.080836 142.5
[M+Na]+ 231.062778 150.8
[M-H]- 207.066284 145.3
[M+NH4]+ 226.107383 161.1
[M+K]+ 247.036718 149.0
[M+H-H2O]+ 191.070820 136.8
[M+HCOO]- 253.071761 165.3
[M+CH3COO]- 267.087411 183.7
[M+Na-2H]- 229.048226 146.7
[M]+ 208.07301142 145.8
[M]- 208.07410858 145.8
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