CID 80223

Diethoxyacetonitrile

Structural Information

Molecular Formula

C₆H₁₁NO₂

SMILES

CCOC(C#N)OCC

InChI

InChI=1S/C6H11NO2/c1-3-8-6(5-7)9-4-2/h6H,3-4H2,1-2H3

InChIKey

UDELMRIGXNCYLU-UHFFFAOYSA-N

Compound name

2,2-diethoxyacetonitrile

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 687
Patents: 129.07898 Da
Monoisotopic Mass: 0.6
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]+	130.08626	125.7
[M+Na]+	152.06820	135.4
[M+NH4]+	147.11280	130.1
[M+K]+	168.04214	127.8
[M-H]-	128.07170	118.0
[M+Na-2H]-	150.05365	127.4
[M]+	129.07843	123.9
[M]-	129.07953	123.9

Literature stripe

literature stripe

Patent stripe

patents stripe