CID 20231

4241-12-7

Structural Information

Molecular Formula
C13H10N2O
SMILES
CC1=C(C=C(C(=O)N1)C#N)C2=CC=CC=C2
InChI
InChI=1S/C13H10N2O/c1-9-12(10-5-3-2-4-6-10)7-11(8-14)13(16)15-9/h2-7H,1H3,(H,15,16)
InChIKey
OEKMRMSCUYJJHJ-UHFFFAOYSA-N
Compound name
6-methyl-2-oxo-5-phenyl-1H-pyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

25
Patents

210.07932 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.086596 148.7
[M+Na]+ 233.068538 160.3
[M-H]- 209.072044 152.1
[M+NH4]+ 228.113143 163.8
[M+K]+ 249.042478 154.1
[M+H-H2O]+ 193.076580 134.9
[M+HCOO]- 255.077521 167.2
[M+CH3COO]- 269.093171 196.8
[M+Na-2H]- 231.053986 153.7
[M]+ 210.07877142 142.6
[M]- 210.07986858 142.6
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