CID 10795

1,1-dimethoxyethane

Structural Information

Molecular Formula

C₄H₁₀O₂

SMILES

CC(OC)OC

InChI

InChI=1S/C4H10O2/c1-4(5-2)6-3/h4H,1-3H3

InChIKey

SPEUIVXLLWOEMJ-UHFFFAOYSA-N

Compound name

1,1-dimethoxyethane

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 104
References: 53575
Patents: 90.06808 Da
Monoisotopic Mass: 0.5
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]+	91.075356	115.6
[M+Na]+	113.05730	123.5
[M-H]-	89.060804	116.4
[M+NH4]+	108.10190	139.5
[M+K]+	129.03124	125.3
[M+H-H2O]+	73.065340	111.6
[M+HCOO]-	135.06628	139.6
[M+CH3COO]-	149.08193	166.0
[M+Na-2H]-	111.04275	122.7
[M]+	90.067531	118.4
[M]-	90.068629	118.4

Literature stripe

literature stripe

Patent stripe

patents stripe