CID 668235

Cyclohexyl p-methoxycinnamate

Structural Information

Molecular Formula

C₁₆H₂₀O₃

SMILES

COC1=CC=C(C=C1)/C=C/C(=O)OC2CCCCC2

InChI

InChI=1S/C16H20O3/c1-18-14-10-7-13(8-11-14)9-12-16(17)19-15-5-3-2-4-6-15/h7-12,15H,2-6H2,1H3/b12-9+

InChIKey

FGEUKKGODAGXOD-FMIVXFBMSA-N

Compound name

cyclohexyl (E)-3-(4-methoxyphenyl)prop-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 2900
Patents: 260.14124 Da
Monoisotopic Mass: 4.0
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]+	261.148516	161.2
[M+Na]+	283.130458	165.0
[M-H]-	259.133964	166.6
[M+NH4]+	278.175063	177.3
[M+K]+	299.104398	162.3
[M+H-H2O]+	243.138500	153.5
[M+HCOO]-	305.139441	180.6
[M+CH3COO]-	319.155091	194.2
[M+Na-2H]-	281.115906	163.3
[M]+	260.14069142	159.1
[M]-	260.14178858	159.1

Literature stripe

literature stripe

Patent stripe

patents stripe