CID 596306

1-(3,5,6-trimethylpyrazin-2-yl)ethanone

Structural Information

Molecular Formula
C9H12N2O
SMILES
CC1=C(N=C(C(=N1)C)C(=O)C)C
InChI
InChI=1S/C9H12N2O/c1-5-6(2)11-9(8(4)12)7(3)10-5/h1-4H3
InChIKey
HTNWCVJHJDVKBT-UHFFFAOYSA-N
Compound name
1-(3,5,6-trimethylpyrazin-2-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

164.09496 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.102236 133.3
[M+Na]+ 187.084178 143.7
[M-H]- 163.087684 135.2
[M+NH4]+ 182.128783 152.2
[M+K]+ 203.058118 142.0
[M+H-H2O]+ 147.092220 126.8
[M+HCOO]- 209.093161 154.7
[M+CH3COO]- 223.108811 182.1
[M+Na-2H]- 185.069626 138.4
[M]+ 164.09441142 135.6
[M]- 164.09550858 135.6
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