CID 15332744

1,4-dimethyl-2,6-dioxo-3h-pyridine-5-carbonitrile

Structural Information

Molecular Formula
C8H8N2O2
SMILES
CC1=C(C(=O)N(C(=O)C1)C)C#N
InChI
InChI=1S/C8H8N2O2/c1-5-3-7(11)10(2)8(12)6(5)4-9/h3H2,1-2H3
InChIKey
IDZOJEUXQIGYHV-UHFFFAOYSA-N
Compound name
1,4-dimethyl-2,6-dioxo-3H-pyridine-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

164.05858 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.065856 128.8
[M+Na]+ 187.047798 140.3
[M-H]- 163.051304 131.6
[M+NH4]+ 182.092403 146.9
[M+K]+ 203.021738 138.4
[M+H-H2O]+ 147.055840 116.9
[M+HCOO]- 209.056781 147.0
[M+CH3COO]- 223.072431 192.2
[M+Na-2H]- 185.033246 133.1
[M]+ 164.05803142 124.0
[M]- 164.05912858 124.0
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