CID 5712075

4-benzyloxy-3-methoxycinnamic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

284.10486 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.112136 164.5
[M+Na]+ 307.094078 171.3
[M-H]- 283.097584 169.8
[M+NH4]+ 302.138683 179.3
[M+K]+ 323.068018 167.5
[M+H-H2O]+ 267.102120 156.7
[M+HCOO]- 329.103061 186.6
[M+CH3COO]- 343.118711 197.5
[M+Na-2H]- 305.079526 167.9
[M]+ 284.10431142 167.1
[M]- 284.10540858 167.1
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