CID 98809

2-ethoxy-1,1-dimethoxyethane

Structural Information

Molecular Formula

C₆H₁₄O₃

SMILES

CCOCC(OC)OC

InChI

InChI=1S/C6H14O3/c1-4-9-5-6(7-2)8-3/h6H,4-5H2,1-3H3

InChIKey

MLRHIIWKFRKPJB-UHFFFAOYSA-N

Compound name

2-ethoxy-1,1-dimethoxyethane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 109
Patents: 134.0943 Da
Monoisotopic Mass: 0.3
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]+	135.101576	128.0
[M+Na]+	157.083518	135.0
[M-H]-	133.087024	128.3
[M+NH4]+	152.128123	150.1
[M+K]+	173.057458	136.7
[M+H-H2O]+	117.091560	123.3
[M+HCOO]-	179.092501	151.6
[M+CH3COO]-	193.108151	174.0
[M+Na-2H]-	155.068966	133.9
[M]+	134.09375142	133.1
[M]-	134.09484858	133.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe