CID 820223

3,5,6-trimethyl-1,2-dihydropyrazin-2-one

Structural Information

Molecular Formula
C7H10N2O
SMILES
CC1=C(N=C(C(=O)N1)C)C
InChI
InChI=1S/C7H10N2O/c1-4-5(2)9-7(10)6(3)8-4/h1-3H3,(H,9,10)
InChIKey
XOHWPXVKBZHLQO-UHFFFAOYSA-N
Compound name
3,5,6-trimethyl-1H-pyrazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

92
Patents

138.07932 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.08660 125.9
[M+Na]+ 161.06854 137.0
[M-H]- 137.07204 126.6
[M+NH4]+ 156.11314 145.3
[M+K]+ 177.04248 134.4
[M+H-H2O]+ 121.07658 119.9
[M+HCOO]- 183.07752 147.5
[M+CH3COO]- 197.09317 172.6
[M+Na-2H]- 159.05399 132.7
[M]+ 138.07877 126.2
[M]- 138.07987 126.2
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