CID 637520

Methyl cinnamate

Structural Information

Molecular Formula

C₁₀H₁₀O₂

SMILES

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

InChI

InChI=1S/C10H10O2/c1-12-10(11)8-7-9-5-3-2-4-6-9/h2-8H,1H3/b8-7+

InChIKey

CCRCUPLGCSFEDV-BQYQJAHWSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 84
References: 19113
Patents: 162.06808 Da
Monoisotopic Mass: 2.6
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]+	163.07536	132.9
[M+Na]+	185.05730	140.4
[M-H]-	161.06080	136.6
[M+NH4]+	180.10190	153.6
[M+K]+	201.03124	138.6
[M+H-H2O]+	145.06534	127.3
[M+HCOO]-	207.06628	157.1
[M+CH3COO]-	221.08193	176.1
[M+Na-2H]-	183.04275	139.5
[M]+	162.06753	133.9
[M]-	162.06863	133.9

Literature stripe

literature stripe

Patent stripe

patents stripe