CID 60031428

2-(2,2-diethoxyethoxy)pyridine

Structural Information

Molecular Formula

C₁₁H₁₇NO₃

SMILES

CCOC(COC1=CC=CC=N1)OCC

InChI

InChI=1S/C11H17NO3/c1-3-13-11(14-4-2)9-15-10-7-5-6-8-12-10/h5-8,11H,3-4,9H2,1-2H3

InChIKey

FNOGBVMSGROJBS-UHFFFAOYSA-N

Compound name

2-(2,2-diethoxyethoxy)pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 211.12085 Da
Monoisotopic Mass: 2.0
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]+	212.12813	147.3
[M+Na]+	234.11007	153.4
[M-H]-	210.11357	149.0
[M+NH4]+	229.15467	164.5
[M+K]+	250.08401	153.0
[M+H-H2O]+	194.11811	139.8
[M+HCOO]-	256.11905	169.6
[M+CH3COO]-	270.13470	186.8
[M+Na-2H]-	232.09552	153.3
[M]+	211.12030	152.1
[M]-	211.12140	152.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe