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]+ 165.065856 129.2
[M+Na]+ 187.047798 140.4
[M-H]- 163.051304 131.6
[M+NH4]+ 182.092403 146.9
[M+K]+ 203.021738 139.0
[M+H-H2O]+ 147.055840 116.3
[M+HCOO]- 209.056781 149.6
[M+CH3COO]- 223.072431 191.0
[M+Na-2H]- 185.033246 136.3
[M]+ 164.05803142 127.4
[M]- 164.05912858 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.