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]+ 168.10192 135.1
[M+Na]+ 190.08386 143.0
[M-H]- 166.08736 137.5
[M+NH4]+ 185.12846 154.5
[M+K]+ 206.05780 142.5
[M+H-H2O]+ 150.09190 128.9
[M+HCOO]- 212.09284 157.3
[M+CH3COO]- 226.10849 178.4
[M+Na-2H]- 188.06931 144.1
[M]+ 167.09409 138.0
[M]- 167.09519 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.