CID 5705542

3-(3-(benzyloxy)-4-methoxyphenyl)acrylic acid

Structural Information

Molecular Formula
C17H16O4
SMILES
COC1=C(C=C(C=C1)/C=C/C(=O)O)OCC2=CC=CC=C2
InChI
InChI=1S/C17H16O4/c1-20-15-9-7-13(8-10-17(18)19)11-16(15)21-12-14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H,18,19)/b10-8+
InChIKey
FQCWLBGBAQCDJF-CSKARUKUSA-N
Compound name
(E)-3-(4-methoxy-3-phenylmethoxyphenyl)prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

284.10486 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.11214 165.6
[M+Na]+ 307.09408 179.0
[M+NH4]+ 302.13868 172.4
[M+K]+ 323.06802 172.0
[M-H]- 283.09758 168.5
[M+Na-2H]- 305.07953 173.1
[M]+ 284.10431 168.2
[M]- 284.10541 168.2
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