CID 5371819

Vinyl cinnamate

Structural Information

Molecular Formula

C₁₁H₁₀O₂

SMILES

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

InChI

InChI=1S/C11H10O2/c1-2-13-11(12)9-8-10-6-4-3-5-7-10/h2-9H,1H2/b9-8+

InChIKey

WGXGKXTZIQFQFO-CMDGGOBGSA-N

Compound name

ethenyl (E)-3-phenylprop-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8849
Patents: 174.06808 Da
Monoisotopic Mass: 3.1
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]+	175.07536	136.2
[M+Na]+	197.05730	143.5
[M-H]-	173.06080	139.6
[M+NH4]+	192.10190	156.3
[M+K]+	213.03124	140.9
[M+H-H2O]+	157.06534	130.4
[M+HCOO]-	219.06628	160.2
[M+CH3COO]-	233.08193	178.3
[M+Na-2H]-	195.04275	142.2
[M]+	174.06753	136.8
[M]-	174.06863	136.8

Literature stripe

literature stripe

Patent stripe

patents stripe