CID 5401708

4-methoxyphenyl cinnamate

Structural Information

Molecular Formula

C₁₆H₁₄O₃

SMILES

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

InChI

InChI=1S/C16H14O3/c1-18-14-8-10-15(11-9-14)19-16(17)12-7-13-5-3-2-4-6-13/h2-12H,1H3/b12-7+

InChIKey

PPQWXTUHTYLFLO-KPKJPENVSA-N

Compound name

(4-methoxyphenyl) (E)-3-phenylprop-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 254.0943 Da
Monoisotopic Mass: 3.7
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	157.9
[M+Na]+	277.08352	172.3
[M+NH4]+	272.12812	165.9
[M+K]+	293.05746	164.4
[M-H]-	253.08702	161.9
[M+Na-2H]-	275.06897	167.0
[M]+	254.09375	161.1
[M]-	254.09485	161.1

Literature stripe

literature stripe

Patent stripe

patents stripe