CID 11116381

2,6-dimethoxypyridine-3-carbonitrile

Structural Information

Molecular Formula
C8H8N2O2
SMILES
COC1=NC(=C(C=C1)C#N)OC
InChI
InChI=1S/C8H8N2O2/c1-11-7-4-3-6(5-9)8(10-7)12-2/h3-4H,1-2H3
InChIKey
FBFJMMFGOXVFIO-UHFFFAOYSA-N
Compound name
2,6-dimethoxypyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

164.05858 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.06586 129.2
[M+Na]+ 187.04780 140.4
[M-H]- 163.05130 131.6
[M+NH4]+ 182.09240 146.9
[M+K]+ 203.02174 139.0
[M+H-H2O]+ 147.05584 116.3
[M+HCOO]- 209.05678 149.6
[M+CH3COO]- 223.07243 191.0
[M+Na-2H]- 185.03325 136.3
[M]+ 164.05803 127.4
[M]- 164.05913 127.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.