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

2
Patents

195.12593 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.133206 144.4
[M+Na]+ 218.115148 150.6
[M-H]- 194.118654 146.1
[M+NH4]+ 213.159753 162.3
[M+K]+ 234.089088 149.6
[M+H-H2O]+ 178.123190 137.1
[M+HCOO]- 240.124131 166.5
[M+CH3COO]- 254.139781 184.9
[M+Na-2H]- 216.100596 150.3
[M]+ 195.12538142 147.8
[M]- 195.12647858 147.8
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

patents stripe