CID 5705542

24807-37-2

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 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

No literature data available for this compound.

Patent stripe

patents stripe