CID 78539

4819-75-4

Structural Information

Molecular Formula

C₇H₁₆O₃

SMILES

CCOC(COC)OCC

InChI

InChI=1S/C7H16O3/c1-4-9-7(6-8-3)10-5-2/h7H,4-6H2,1-3H3

InChIKey

PCYADPMXIILFTP-UHFFFAOYSA-N

Compound name

1,1-diethoxy-2-methoxyethane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 96
Patents: 148.10994 Da
Monoisotopic Mass: 0.7
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]+	149.11722	132.7
[M+Na]+	171.09916	139.3
[M-H]-	147.10266	132.9
[M+NH4]+	166.14376	154.2
[M+K]+	187.07310	140.7
[M+H-H2O]+	131.10720	127.8
[M+HCOO]-	193.10814	155.9
[M+CH3COO]-	207.12379	177.0
[M+Na-2H]-	169.08461	138.0
[M]+	148.10939	138.2
[M]-	148.11049	138.2

Literature stripe

literature stripe

Patent stripe

patents stripe