CID 11332493

3-methoxypicolinonitrile

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

158
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 127.0
[M+Na]+ 157.03724 140.0
[M+NH4]+ 152.08184 132.2
[M+K]+ 173.01118 130.7
[M-H]- 133.04074 121.6
[M+Na-2H]- 155.02269 132.2
[M]+ 134.04747 126.5
[M]- 134.04857 126.5
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