CID 226349

7152-95-6

Structural Information

Molecular Formula
C17H16O4
SMILES
COC1=C(C=CC(=C1)C=CC(=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)
InChIKey
WSOBQOYHYGVEIR-UHFFFAOYSA-N
Compound name
3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

50
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 164.5
[M+Na]+ 307.09408 171.3
[M-H]- 283.09758 169.8
[M+NH4]+ 302.13868 179.3
[M+K]+ 323.06802 167.5
[M+H-H2O]+ 267.10212 156.7
[M+HCOO]- 329.10306 186.6
[M+CH3COO]- 343.11871 197.5
[M+Na-2H]- 305.07953 167.9
[M]+ 284.10431 167.1
[M]- 284.10541 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

literature stripe

Patent stripe

patents stripe