CID 642508

2-hydroxy-4,5,6-trimethylnicotinonitrile

Structural Information

Molecular Formula
C9H10N2O
SMILES
CC1=C(NC(=O)C(=C1C)C#N)C
InChI
InChI=1S/C9H10N2O/c1-5-6(2)8(4-10)9(12)11-7(5)3/h1-3H3,(H,11,12)
InChIKey
ATHBJRFQFOFPLV-UHFFFAOYSA-N
Compound name
4,5,6-trimethyl-2-oxo-1H-pyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

162.07932 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.08660 132.1
[M+Na]+ 185.06854 144.4
[M-H]- 161.07204 133.9
[M+NH4]+ 180.11314 149.9
[M+K]+ 201.04248 141.2
[M+H-H2O]+ 145.07658 120.2
[M+HCOO]- 207.07752 150.8
[M+CH3COO]- 221.09317 190.9
[M+Na-2H]- 183.05399 136.8
[M]+ 162.07877 127.7
[M]- 162.07987 127.7
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.