CID 234734

2-[(2-methoxyethoxy)methyl]oxirane

Structural Information

Molecular Formula

C₆H₁₂O₃

SMILES

COCCOCC1CO1

InChI

InChI=1S/C6H12O3/c1-7-2-3-8-4-6-5-9-6/h6H,2-5H2,1H3

InChIKey

KQXZMAACKJIRJE-UHFFFAOYSA-N

Compound name

2-(2-methoxyethoxymethyl)oxirane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 591
Patents: 132.07864 Da
Monoisotopic Mass: -0.4
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]+	133.085916	127.7
[M+Na]+	155.067858	137.0
[M-H]-	131.071364	133.1
[M+NH4]+	150.112463	143.8
[M+K]+	171.041798	137.8
[M+H-H2O]+	115.075900	121.6
[M+HCOO]-	177.076841	151.4
[M+CH3COO]-	191.092491	175.2
[M+Na-2H]-	153.053306	136.3
[M]+	132.07809142	135.0
[M]-	132.07918858	135.0

Literature stripe

literature stripe

Patent stripe

patents stripe