CID 22213

Hexyl glycidyl ether

Structural Information

Molecular Formula

C₉H₁₈O₂

SMILES

CCCCCCOCC1CO1

InChI

InChI=1S/C9H18O2/c1-2-3-4-5-6-10-7-9-8-11-9/h9H,2-8H2,1H3

InChIKey

JPEGUDKOYOIOOP-UHFFFAOYSA-N

Compound name

2-(hexoxymethyl)oxirane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4102
Patents: 158.13068 Da
Monoisotopic Mass: 2.1
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]+	159.137956	137.2
[M+Na]+	181.119898	145.3
[M-H]-	157.123404	142.1
[M+NH4]+	176.164503	152.3
[M+K]+	197.093838	145.1
[M+H-H2O]+	141.127940	130.7
[M+HCOO]-	203.128881	159.8
[M+CH3COO]-	217.144531	182.0
[M+Na-2H]-	179.105346	144.3
[M]+	158.13013142	144.2
[M]-	158.13122858	144.2

Literature stripe

literature stripe

Patent stripe

patents stripe