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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	255.10158	157.3
[M+Na]+	277.08352	163.7
[M-H]-	253.08702	162.4
[M+NH4]+	272.12812	173.1
[M+K]+	293.05746	159.5
[M+H-H2O]+	237.09156	149.7
[M+HCOO]-	299.09250	179.5
[M+CH3COO]-	313.10815	191.3
[M+Na-2H]-	275.06897	161.9
[M]+	254.09375	157.7
[M]-	254.09485	157.7

Literature stripe

literature stripe

Patent stripe

patents stripe