CID 11170995

1-methyl-2-oxo-1,2-dihydropyridine-4-carbonitrile

Structural Information

Molecular Formula
C7H6N2O
SMILES
CN1C=CC(=CC1=O)C#N
InChI
InChI=1S/C7H6N2O/c1-9-3-2-6(5-8)4-7(9)10/h2-4H,1H3
InChIKey
KTFKAUVXDUNFOB-UHFFFAOYSA-N
Compound name
1-methyl-2-oxopyridine-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

61
Patents

134.04802 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.05530 123.3
[M+Na]+ 157.03724 135.2
[M-H]- 133.04074 125.8
[M+NH4]+ 152.08184 142.1
[M+K]+ 173.01118 132.9
[M+H-H2O]+ 117.04528 110.8
[M+HCOO]- 179.04622 143.9
[M+CH3COO]- 193.06187 185.7
[M+Na-2H]- 155.02269 130.7
[M]+ 134.04747 119.2
[M]- 134.04857 119.2
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