CID 13415156

4-methoxypicolinonitrile

Structural Information

Molecular Formula
C7H6N2O
SMILES
COC1=CC(=NC=C1)C#N
InChI
InChI=1S/C7H6N2O/c1-10-7-2-3-9-6(4-7)5-8/h2-4H,1H3
InChIKey
PWGGPHUKKQTXAY-UHFFFAOYSA-N
Compound name
4-methoxypyridine-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

225
Patents

134.04802 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.05530 123.3
[M+Na]+ 157.03724 134.2
[M-H]- 133.04074 125.5
[M+NH4]+ 152.08184 141.9
[M+K]+ 173.01118 132.3
[M+H-H2O]+ 117.04528 110.6
[M+HCOO]- 179.04622 143.8
[M+CH3COO]- 193.06187 185.5
[M+Na-2H]- 155.02269 131.5
[M]+ 134.04747 119.5
[M]- 134.04857 119.5
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