CID 5354883

Cinnamyl formate

Structural Information

Molecular Formula

C₁₀H₁₀O₂

SMILES

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

InChI

InChI=1S/C10H10O2/c11-9-12-8-4-7-10-5-2-1-3-6-10/h1-7,9H,8H2/b7-4+

InChIKey

LBHJXKYRYCUGPD-QPJJXVBHSA-N

Compound name

[(E)-3-phenylprop-2-enyl] formate

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 3
References: 1960
Patents: 162.06808 Da
Monoisotopic Mass: 2.5
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]+	163.075356	132.3
[M+Na]+	185.057298	140.0
[M-H]-	161.060804	135.8
[M+NH4]+	180.101903	153.0
[M+K]+	201.031238	137.7
[M+H-H2O]+	145.065340	126.6
[M+HCOO]-	207.066281	157.5
[M+CH3COO]-	221.081931	176.0
[M+Na-2H]-	183.042746	140.2
[M]+	162.06753142	134.1
[M]-	162.06862858	134.1

Literature stripe

literature stripe

Patent stripe

patents stripe