CID 30915

22047-27-4

Structural Information

Molecular Formula
C7H8N2O
SMILES
CC1=CN=C(C=N1)C(=O)C
InChI
InChI=1S/C7H8N2O/c1-5-3-9-7(4-8-5)6(2)10/h3-4H,1-2H3
InChIKey
LPQFLJXNMCVMCO-UHFFFAOYSA-N
Compound name
1-(5-methylpyrazin-2-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

243
Patents

136.06366 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.070936 125.3
[M+Na]+ 159.052878 134.6
[M-H]- 135.056384 126.7
[M+NH4]+ 154.097483 144.6
[M+K]+ 175.026818 133.4
[M+H-H2O]+ 119.060920 118.5
[M+HCOO]- 181.061861 147.4
[M+CH3COO]- 195.077511 173.8
[M+Na-2H]- 157.038326 132.9
[M]+ 136.06311142 126.0
[M]- 136.06420858 126.0
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