CID 585865

27036-90-4

Structural Information

Molecular Formula
C7H8N2O
SMILES
CC1=C(CCC(=O)N1)C#N
InChI
InChI=1S/C7H8N2O/c1-5-6(4-8)2-3-7(10)9-5/h2-3H2,1H3,(H,9,10)
InChIKey
JMOQBKDWJOUOAP-UHFFFAOYSA-N
Compound name
6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

136.06366 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.07094 125.9
[M+Na]+ 159.05288 135.6
[M-H]- 135.05638 126.8
[M+NH4]+ 154.09748 143.9
[M+K]+ 175.02682 132.9
[M+H-H2O]+ 119.06092 113.9
[M+HCOO]- 181.06186 142.6
[M+CH3COO]- 195.07751 183.9
[M+Na-2H]- 157.03833 131.2
[M]+ 136.06311 117.7
[M]- 136.06421 117.7
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

No patent data available for this compound.