CID 595279

113124-05-3

Structural Information

Molecular Formula
C9H10N2O
SMILES
CCC1=C(C=C(C(=O)N1)C#N)C
InChI
InChI=1S/C9H10N2O/c1-3-8-6(2)4-7(5-10)9(12)11-8/h4H,3H2,1-2H3,(H,11,12)
InChIKey
CSVWRICIKRDFBO-UHFFFAOYSA-N
Compound name
6-ethyl-5-methyl-2-oxo-1H-pyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

162.07932 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.086596 132.7
[M+Na]+ 185.068538 144.2
[M-H]- 161.072044 134.1
[M+NH4]+ 180.113143 150.1
[M+K]+ 201.042478 140.8
[M+H-H2O]+ 145.076580 120.4
[M+HCOO]- 207.077521 151.3
[M+CH3COO]- 221.093171 189.8
[M+Na-2H]- 183.053986 137.9
[M]+ 162.07877142 127.9
[M]- 162.07986858 127.9
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