CID 9261

Pyrazine

Structural Information

Molecular Formula
C4H4N2
SMILES
C1=CN=CC=N1
InChI
InChI=1S/C4H4N2/c1-2-6-4-3-5-1/h1-4H
InChIKey
KYQCOXFCLRTKLS-UHFFFAOYSA-N
Compound name
pyrazine
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

13609
References

85734
Patents

80.037445 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 81.044721 109.9
[M+Na]+ 103.02666 118.5
[M-H]- 79.030169 110.8
[M+NH4]+ 98.071268 130.9
[M+K]+ 119.00060 117.8
[M+H-H2O]+ 63.034705 103.2
[M+HCOO]- 125.03565 133.5
[M+CH3COO]- 139.05130 160.7
[M+Na-2H]- 101.01211 121.8
[M]+ 80.036896 108.6
[M]- 80.037994 108.6
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