CID 12749734

2-(1,1-dimethoxyethyl)-pyridine

Structural Information

Molecular Formula
C9H13NO2
SMILES
CC(C1=CC=CC=N1)(OC)OC
InChI
InChI=1S/C9H13NO2/c1-9(11-2,12-3)8-6-4-5-7-10-8/h4-7H,1-3H3
InChIKey
IKNMJLGGVYFBFL-UHFFFAOYSA-N
Compound name
2-(1,1-dimethoxyethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

167.09464 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.101916 135.1
[M+Na]+ 190.083858 143.0
[M-H]- 166.087364 137.5
[M+NH4]+ 185.128463 154.5
[M+K]+ 206.057798 142.5
[M+H-H2O]+ 150.091900 128.9
[M+HCOO]- 212.092841 157.3
[M+CH3COO]- 226.108491 178.4
[M+Na-2H]- 188.069306 144.1
[M]+ 167.09409142 138.0
[M]- 167.09518858 138.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.