CID 24219840

1,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile

Structural Information

Molecular Formula
C8H8N2O
SMILES
CC1=CC=C(C(=O)N1C)C#N
InChI
InChI=1S/C8H8N2O/c1-6-3-4-7(5-9)8(11)10(6)2/h3-4H,1-2H3
InChIKey
LWVAFJMWTMYUIA-UHFFFAOYSA-N
Compound name
1,6-dimethyl-2-oxopyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

148.06366 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.07094 126.7
[M+Na]+ 171.05288 139.0
[M-H]- 147.05638 129.5
[M+NH4]+ 166.09748 145.3
[M+K]+ 187.02682 136.6
[M+H-H2O]+ 131.06092 114.4
[M+HCOO]- 193.06186 147.0
[M+CH3COO]- 207.07751 189.5
[M+Na-2H]- 169.03833 133.0
[M]+ 148.06311 123.3
[M]- 148.06421 123.3
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