CID 167722051

5-(2,2-diethoxyethyl)-2-methylpyridine

Structural Information

Molecular Formula
C12H19NO2
SMILES
CCOC(CC1=CN=C(C=C1)C)OCC
InChI
InChI=1S/C12H19NO2/c1-4-14-12(15-5-2)8-11-7-6-10(3)13-9-11/h6-7,9,12H,4-5,8H2,1-3H3
InChIKey
OSXRTIXHVASTSM-UHFFFAOYSA-N
Compound name
5-(2,2-diethoxyethyl)-2-methylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.14159 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.148866 148.5
[M+Na]+ 232.130808 155.3
[M-H]- 208.134314 150.4
[M+NH4]+ 227.175413 166.3
[M+K]+ 248.104748 154.1
[M+H-H2O]+ 192.138850 141.3
[M+HCOO]- 254.139791 170.3
[M+CH3COO]- 268.155441 189.0
[M+Na-2H]- 230.116256 153.2
[M]+ 209.14104142 152.7
[M]- 209.14213858 152.7
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.