CID 107145

Cyclohexyl glycidyl ether

Structural Information

Molecular Formula

C₉H₁₆O₂

SMILES

C1CCC(CC1)OCC2CO2

InChI

InChI=1S/C9H16O2/c1-2-4-8(5-3-1)10-6-9-7-11-9/h8-9H,1-7H2

InChIKey

XNJDQHLXEBQMDE-UHFFFAOYSA-N

Compound name

2-(cyclohexyloxymethyl)oxirane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1359
Patents: 156.11504 Da
Monoisotopic Mass: 1.6
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]+	157.122316	133.7
[M+Na]+	179.104258	140.1
[M-H]-	155.107764	141.1
[M+NH4]+	174.148863	148.3
[M+K]+	195.078198	140.5
[M+H-H2O]+	139.112300	126.9
[M+HCOO]-	201.113241	153.9
[M+CH3COO]-	215.128891	178.6
[M+Na-2H]-	177.089706	140.5
[M]+	156.11449142	134.1
[M]-	156.11558858	134.1

Literature stripe

literature stripe

Patent stripe

patents stripe