CID 106834

(1-methoxyethyl)cyclohexane

Structural Information

Molecular Formula

C₉H₁₈O

SMILES

CC(C1CCCCC1)OC

InChI

InChI=1S/C9H18O/c1-8(10-2)9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3

InChIKey

ZNPFXBUKHUJVKH-UHFFFAOYSA-N

Compound name

1-methoxyethylcyclohexane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 389
Patents: 142.13577 Da
Monoisotopic Mass: 2.9
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]+	143.143046	133.3
[M+Na]+	165.124988	137.3
[M-H]-	141.128494	135.9
[M+NH4]+	160.169593	154.6
[M+K]+	181.098928	137.2
[M+H-H2O]+	125.133030	127.9
[M+HCOO]-	187.133971	152.8
[M+CH3COO]-	201.149621	175.4
[M+Na-2H]-	163.110436	137.3
[M]+	142.13522142	129.7
[M]-	142.13631858	129.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe