CID 137595

Pyrazine 1-oxide

Structural Information

Molecular Formula
C4H4N2O
SMILES
C1=C[N+](=CC=N1)[O-]
InChI
InChI=1S/C4H4N2O/c7-6-3-1-5-2-4-6/h1-4H
InChIKey
RUIZBQQGWNBRFH-UHFFFAOYSA-N
Compound name
1-oxidopyrazin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2023
Patents

96.032364 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 97.039640 112.3
[M+Na]+ 119.02158 127.9
[M+NH4]+ 114.06619 121.6
[M+K]+ 134.99552 123.6
[M-H]- 95.025088 114.8
[M+Na-2H]- 117.00703 121.0
[M]+ 96.031815 115.2
[M]- 96.032913 115.2
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