CID 641423

Allyl cinnamate

Structural Information

Molecular Formula

C₁₂H₁₂O₂

SMILES

C=CCOC(=O)/C=C/C1=CC=CC=C1

InChI

InChI=1S/C12H12O2/c1-2-10-14-12(13)9-8-11-6-4-3-5-7-11/h2-9H,1,10H2/b9-8+

InChIKey

KCMITHMNVLRGJU-CMDGGOBGSA-N

Compound name

prop-2-enyl (E)-3-phenylprop-2-enoate

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 4
References: 3148
Patents: 188.08372 Da
Monoisotopic Mass: 3.0
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]+	189.09100	140.9
[M+Na]+	211.07294	147.8
[M-H]-	187.07644	144.2
[M+NH4]+	206.11754	160.4
[M+K]+	227.04688	144.9
[M+H-H2O]+	171.08098	134.9
[M+HCOO]-	233.08192	164.6
[M+CH3COO]-	247.09757	181.3
[M+Na-2H]-	209.05839	146.3
[M]+	188.08317	141.9
[M]-	188.08427	141.9

Literature stripe

literature stripe

Patent stripe

patents stripe