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]+ 137.070936 125.9
[M+Na]+ 159.052878 135.6
[M-H]- 135.056384 126.8
[M+NH4]+ 154.097483 143.9
[M+K]+ 175.026818 132.9
[M+H-H2O]+ 119.060920 113.9
[M+HCOO]- 181.061861 142.6
[M+CH3COO]- 195.077511 183.9
[M+Na-2H]- 157.038326 131.2
[M]+ 136.06311142 117.7
[M]- 136.06420858 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.