CID 538058

2-methyl-1-(pyrazin-2-yl)propan-1-one

Structural Information

Molecular Formula
C8H10N2O
SMILES
CC(C)C(=O)C1=NC=CN=C1
InChI
InChI=1S/C8H10N2O/c1-6(2)8(11)7-5-9-3-4-10-7/h3-6H,1-2H3
InChIKey
MIXOVLFCVIFBHB-UHFFFAOYSA-N
Compound name
2-methyl-1-pyrazin-2-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

115
Patents

150.07932 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.086596 130.4
[M+Na]+ 173.068538 138.1
[M-H]- 149.072044 131.3
[M+NH4]+ 168.113143 148.7
[M+K]+ 189.042478 137.0
[M+H-H2O]+ 133.076580 123.2
[M+HCOO]- 195.077521 151.1
[M+CH3COO]- 209.093171 176.5
[M+Na-2H]- 171.053986 136.9
[M]+ 150.07877142 130.5
[M]- 150.07986858 130.5
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