CID 3022299

(4-methoxybutylidene)cyclohexane

Structural Information

Molecular Formula

C₁₁H₂₀O

SMILES

COCCCC=C1CCCCC1

InChI

InChI=1S/C11H20O/c1-12-10-6-5-9-11-7-3-2-4-8-11/h9H,2-8,10H2,1H3

InChIKey

VALMDEDTYYMWAS-UHFFFAOYSA-N

Compound name

4-methoxybutylidenecyclohexane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1
Patents: 168.15141 Da
Monoisotopic Mass: 3.0
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]+	169.158686	141.0
[M+Na]+	191.140628	144.7
[M-H]-	167.144134	143.1
[M+NH4]+	186.185233	161.2
[M+K]+	207.114568	143.0
[M+H-H2O]+	151.148670	135.1
[M+HCOO]-	213.149611	160.9
[M+CH3COO]-	227.165261	179.1
[M+Na-2H]-	189.126076	145.1
[M]+	168.15086142	137.9
[M]-	168.15195858	137.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe