CID 53350347

Akos015841005

Structural Information

Molecular Formula
C6H8N2O
SMILES
CC(=O)C1=CNC=CN1
InChI
InChI=1S/C6H8N2O/c1-5(9)6-4-7-2-3-8-6/h2-4,7-8H,1H3
InChIKey
VZDCYMKSFBUUOE-UHFFFAOYSA-N
Compound name
1-(1,4-dihydropyrazin-2-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

124.06366 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.070936 125.0
[M+Na]+ 147.052878 131.9
[M-H]- 123.056384 122.9
[M+NH4]+ 142.097483 142.9
[M+K]+ 163.026818 129.2
[M+H-H2O]+ 107.060920 118.6
[M+HCOO]- 169.061861 142.9
[M+CH3COO]- 183.077511 164.7
[M+Na-2H]- 145.038326 131.6
[M]+ 124.06311142 119.7
[M]- 124.06420858 119.7
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

No patent data available for this compound.