CID 46479

64038-03-5

Structural Information

Molecular Formula
C9H10N2O
SMILES
CC1=CC(=C(C(=O)N1C)C#N)C
InChI
InChI=1S/C9H10N2O/c1-6-4-7(2)11(3)9(12)8(6)5-10/h4H,1-3H3
InChIKey
YHNFRZWVZUMYEJ-UHFFFAOYSA-N
Compound name
1,4,6-trimethyl-2-oxopyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

20
Patents

162.07932 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.08660 130.1
[M+Na]+ 185.06854 142.8
[M-H]- 161.07204 133.1
[M+NH4]+ 180.11314 148.5
[M+K]+ 201.04248 140.3
[M+H-H2O]+ 145.07658 117.9
[M+HCOO]- 207.07752 150.1
[M+CH3COO]- 221.09317 193.3
[M+Na-2H]- 183.05399 135.3
[M]+ 162.07877 127.4
[M]- 162.07987 127.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe