CID 86775910

3-(2,2-diethoxyethyl)pyridine

Structural Information

Molecular Formula

C₁₁H₁₇NO₂

SMILES

CCOC(CC1=CN=CC=C1)OCC

InChI

InChI=1S/C11H17NO2/c1-3-13-11(14-4-2)8-10-6-5-7-12-9-10/h5-7,9,11H,3-4,8H2,1-2H3

InChIKey

DUSDHEONNGADKV-UHFFFAOYSA-N

Compound name

3-(2,2-diethoxyethyl)pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 195.12593 Da
Monoisotopic Mass: 1.7
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]+	196.13321	144.1
[M+Na]+	218.11515	156.2
[M+NH4]+	213.15975	152.0
[M+K]+	234.08909	149.7
[M-H]-	194.11865	145.4
[M+Na-2H]-	216.10060	150.7
[M]+	195.12538	146.1
[M]-	195.12648	146.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe