CID 1549559

Substance h 20

Structural Information

Molecular Formula

C₁₆H₁₄O₃

SMILES

COC1=CC=CC=C1/C=C(\C2=CC=CC=C2)/C(=O)O

InChI

InChI=1S/C16H14O3/c1-19-15-10-6-5-9-13(15)11-14(16(17)18)12-7-3-2-4-8-12/h2-11H,1H3,(H,17,18)/b14-11+

InChIKey

SJSYJHLLBBSLIH-SDNWHVSQSA-N

Compound name

(E)-3-(2-methoxyphenyl)-2-phenylprop-2-enoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 237
Patents: 254.0943 Da
Monoisotopic Mass: 3.5
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	163.4
[M-H]-	253.08702	162.5
[M+NH4]+	272.12812	173.0
[M+K]+	293.05746	159.7
[M+H-H2O]+	237.09156	149.9
[M+HCOO]-	299.09250	178.5
[M+CH3COO]-	313.10815	192.1
[M+Na-2H]-	275.06897	160.7
[M]+	254.09375	157.1
[M]-	254.09485	157.1

Literature stripe

literature stripe

Patent stripe

patents stripe