CID 93934

(4-methoxybutyl)cyclohexane

Structural Information

Molecular Formula

C₁₁H₂₂O

SMILES

COCCCCC1CCCCC1

InChI

InChI=1S/C11H22O/c1-12-10-6-5-9-11-7-3-2-4-8-11/h11H,2-10H2,1H3

InChIKey

RJODNIAWMUBVRK-UHFFFAOYSA-N

Compound name

4-methoxybutylcyclohexane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 5
Patents: 170.16707 Da
Monoisotopic Mass: 4.1
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]+	171.17435	142.2
[M+Na]+	193.15629	145.6
[M-H]-	169.15979	144.3
[M+NH4]+	188.20089	162.4
[M+K]+	209.13023	144.5
[M+H-H2O]+	153.16433	136.2
[M+HCOO]-	215.16527	161.9
[M+CH3COO]-	229.18092	180.6
[M+Na-2H]-	191.14174	146.3
[M]+	170.16652	139.9
[M]-	170.16762	139.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe