CID 69856

769-28-8

Structural Information

Molecular Formula
C8H8N2O
SMILES
CC1=CC(=C(C(=O)N1)C#N)C
InChI
InChI=1S/C8H8N2O/c1-5-3-6(2)10-8(11)7(5)4-9/h3H,1-2H3,(H,10,11)
InChIKey
OCYMJCILWYHKAU-UHFFFAOYSA-N
Compound name
4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

488
Patents

148.06366 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.07094 128.7
[M+Na]+ 171.05288 140.6
[M-H]- 147.05638 130.3
[M+NH4]+ 166.09748 146.6
[M+K]+ 187.02682 137.4
[M+H-H2O]+ 131.06092 116.6
[M+HCOO]- 193.06186 147.6
[M+CH3COO]- 207.07751 187.1
[M+Na-2H]- 169.03833 134.4
[M]+ 148.06311 123.6
[M]- 148.06421 123.6
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