CID 90782

Benzyl-3-cyclohexen-1-ylidenemethyl ether

Structural Information

Molecular Formula

C₁₄H₁₆O

SMILES

C1CC(=COCC2=CC=CC=C2)CC=C1

InChI

InChI=1S/C14H16O/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14/h1-5,7-8,12H,6,9-11H2

InChIKey

JEVXQVKXMWAWQE-UHFFFAOYSA-N

Compound name

cyclohex-3-en-1-ylidenemethoxymethylbenzene

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 72
Patents: 200.12012 Da
Monoisotopic Mass: 3.2
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]+	201.12740	145.1
[M+Na]+	223.10934	150.0
[M-H]-	199.11284	150.8
[M+NH4]+	218.15394	163.7
[M+K]+	239.08328	146.5
[M+H-H2O]+	183.11738	137.9
[M+HCOO]-	245.11832	167.1
[M+CH3COO]-	259.13397	183.3
[M+Na-2H]-	221.09479	151.2
[M]+	200.11957	141.9
[M]-	200.12067	141.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe