CID 13847

1002-67-1

Structural Information

Molecular Formula

C₇H₁₆O₃

SMILES

CCOCCOCCOC

InChI

InChI=1S/C7H16O3/c1-3-9-6-7-10-5-4-8-2/h3-7H2,1-2H3

InChIKey

CNJRPYFBORAQAU-UHFFFAOYSA-N

Compound name

1-(2-ethoxyethoxy)-2-methoxyethane

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 1
References: 25689
Patents: 148.10994 Da
Monoisotopic Mass: 0.0
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	131.3
[M+Na]+	171.09916	141.3
[M+NH4]+	166.14376	138.9
[M+K]+	187.07310	135.7
[M-H]-	147.10266	130.4
[M+Na-2H]-	169.08461	134.9
[M]+	148.10939	132.3
[M]-	148.11049	132.3

Literature stripe

literature stripe

Patent stripe

patents stripe