CID 5744267

(z)-3-hexenyl cinnamate

Structural Information

Molecular Formula

C₁₅H₁₈O₂

SMILES

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

InChI

InChI=1S/C15H18O2/c1-2-3-4-8-13-17-15(16)12-11-14-9-6-5-7-10-14/h3-7,9-12H,2,8,13H2,1H3/b4-3+,12-11+

InChIKey

FKWGVMQNGUQXDN-NEVCXRMESA-N

Compound name

[(E)-hex-3-enyl] (E)-3-phenylprop-2-enoate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 2
References: 55
Patents: 230.13068 Da
Monoisotopic Mass: 4.4
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]+	231.137956	155.1
[M+Na]+	253.119898	160.8
[M-H]-	229.123404	157.9
[M+NH4]+	248.164503	173.1
[M+K]+	269.093838	157.1
[M+H-H2O]+	213.127940	148.5
[M+HCOO]-	275.128881	177.8
[M+CH3COO]-	289.144531	189.7
[M+Na-2H]-	251.105346	158.9
[M]+	230.13013142	157.1
[M]-	230.13122858	157.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe