CID 572256

1-(5,6-dimethylpyrazin-2-yl)propan-1-one

Structural Information

Molecular Formula
C9H12N2O
SMILES
CCC(=O)C1=CN=C(C(=N1)C)C
InChI
InChI=1S/C9H12N2O/c1-4-9(12)8-5-10-6(2)7(3)11-8/h5H,4H2,1-3H3
InChIKey
WXZYOYWRACWFRU-UHFFFAOYSA-N
Compound name
1-(5,6-dimethylpyrazin-2-yl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

164.09496 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.102236 134.0
[M+Na]+ 187.084178 143.5
[M-H]- 163.087684 135.5
[M+NH4]+ 182.128783 152.6
[M+K]+ 203.058118 141.7
[M+H-H2O]+ 147.092220 127.1
[M+HCOO]- 209.093161 155.4
[M+CH3COO]- 223.108811 181.0
[M+Na-2H]- 185.069626 139.8
[M]+ 164.09441142 135.9
[M]- 164.09550858 135.9
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