CID 642508

91591-59-2

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

31
Patents

162.07932 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.086596 132.1
[M+Na]+ 185.068538 144.4
[M-H]- 161.072044 133.9
[M+NH4]+ 180.113143 149.9
[M+K]+ 201.042478 141.2
[M+H-H2O]+ 145.076580 120.2
[M+HCOO]- 207.077521 150.8
[M+CH3COO]- 221.093171 190.9
[M+Na-2H]- 183.053986 136.8
[M]+ 162.07877142 127.7
[M]- 162.07986858 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

patents stripe