CID 6144877

113982-23-3

Structural Information

Molecular Formula
C16H14O3
SMILES
C1=CC=C(C=C1)COC2=CC=CC=C2/C=C/C(=O)O
InChI
InChI=1S/C16H14O3/c17-16(18)11-10-14-8-4-5-9-15(14)19-12-13-6-2-1-3-7-13/h1-11H,12H2,(H,17,18)/b11-10+
InChIKey
LCUILCDHTJZGOQ-ZHACJKMWSA-N
Compound name
(E)-3-(2-phenylmethoxyphenyl)prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

254.0943 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.10158 158.4
[M+Na]+ 277.08352 172.2
[M+NH4]+ 272.12812 166.1
[M+K]+ 293.05746 164.6
[M-H]- 253.08702 161.8
[M+Na-2H]- 275.06897 166.9
[M]+ 254.09375 161.3
[M]- 254.09485 161.3
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