CID 2755887

4-methoxynicotinonitrile

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

173
Patents

134.04802 Da
Monoisotopic Mass

0.5
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

literature stripe

Patent stripe

patents stripe