CID 22571168

6-methylheptyl glycidyl ether

Structural Information

Molecular Formula

C₁₁H₂₂O₂

SMILES

CC(C)CCCCCOCC1CO1

InChI

InChI=1S/C11H22O2/c1-10(2)6-4-3-5-7-12-8-11-9-13-11/h10-11H,3-9H2,1-2H3

InChIKey

AYHLPQOWRMPEKH-UHFFFAOYSA-N

Compound name

2-(6-methylheptoxymethyl)oxirane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 567
Patents: 186.16199 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]+	187.169266	145.8
[M+Na]+	209.151208	152.8
[M-H]-	185.154714	150.4
[M+NH4]+	204.195813	159.8
[M+K]+	225.125148	152.5
[M+H-H2O]+	169.159250	139.0
[M+HCOO]-	231.160191	166.9
[M+CH3COO]-	245.175841	188.5
[M+Na-2H]-	207.136656	150.7
[M]+	186.16144142	152.9
[M]-	186.16253858	152.9

Literature stripe

literature stripe

Patent stripe

patents stripe