CID 10899396

61675-94-3

Structural Information

Molecular Formula

C₉H₁₆O₄

SMILES

CCOC(=O)COC1CCCCO1

InChI

InChI=1S/C9H16O4/c1-2-11-8(10)7-13-9-5-3-4-6-12-9/h9H,2-7H2,1H3

InChIKey

GZVWKAGBBACFPD-UHFFFAOYSA-N

Compound name

ethyl 2-(oxan-2-yloxy)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 111
Patents: 188.10486 Da
Monoisotopic Mass: 1.2
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]+	189.112136	140.8
[M+Na]+	211.094078	145.1
[M-H]-	187.097584	144.0
[M+NH4]+	206.138683	158.8
[M+K]+	227.068018	146.8
[M+H-H2O]+	171.102120	134.7
[M+HCOO]-	233.103061	160.2
[M+CH3COO]-	247.118711	179.8
[M+Na-2H]-	209.079526	145.9
[M]+	188.10431142	141.4
[M]-	188.10540858	141.4

Literature stripe

literature stripe

Patent stripe

patents stripe