CID 7765

Acetal

Structural Information

Molecular Formula

C₆H₁₄O₂

SMILES

CCOC(C)OCC

InChI

InChI=1S/C6H14O2/c1-4-7-6(3)8-5-2/h6H,4-5H2,1-3H3

InChIKey

DHKHKXVYLBGOIT-UHFFFAOYSA-N

Compound name

1,1-diethoxyethane

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 1368
References: 117680
Patents: 118.09938 Da
Monoisotopic Mass: 0.8
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]+	119.106656	125.1
[M+Na]+	141.088598	132.1
[M-H]-	117.092104	125.5
[M+NH4]+	136.133203	147.9
[M+K]+	157.062538	133.4
[M+H-H2O]+	101.096640	120.7
[M+HCOO]-	163.097581	148.4
[M+CH3COO]-	177.113231	172.1
[M+Na-2H]-	139.074046	131.0
[M]+	118.09883142	128.7
[M]-	118.09992858	128.7

Literature stripe

literature stripe

Patent stripe

patents stripe