CID 24691573

1,3-dimethylbutyl glycidyl ether

Structural Information

Molecular Formula

C₉H₁₈O₂

SMILES

CC(C)CC(C)OCC1CO1

InChI

InChI=1S/C9H18O2/c1-7(2)4-8(3)10-5-9-6-11-9/h7-9H,4-6H2,1-3H3

InChIKey

ATERKBCSRXXVEY-UHFFFAOYSA-N

Compound name

2-(4-methylpentan-2-yloxymethyl)oxirane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 3
Patents: 158.13068 Da
Monoisotopic Mass: 1.9
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]+	159.137956	136.7
[M+Na]+	181.119898	144.4
[M-H]-	157.123404	141.8
[M+NH4]+	176.164503	151.8
[M+K]+	197.093838	144.9
[M+H-H2O]+	141.127940	130.5
[M+HCOO]-	203.128881	157.5
[M+CH3COO]-	217.144531	183.6
[M+Na-2H]-	179.105346	141.5
[M]+	158.13013142	142.5
[M]-	158.13122858	142.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe