CID 470936

2-(5h-tetrazol-5-yl)pyrazine

Structural Information

Molecular Formula
C5H4N6
SMILES
C1=CN=C(C=N1)C2N=NN=N2
InChI
InChI=1S/C5H4N6/c1-2-7-4(3-6-1)5-8-10-11-9-5/h1-3,5H
InChIKey
HZHMEVDZFCNVFS-UHFFFAOYSA-N
Compound name
2-(5H-tetrazol-5-yl)pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

7
Patents

148.04974 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.05702 127.9
[M+Na]+ 171.03896 138.5
[M-H]- 147.04246 126.9
[M+NH4]+ 166.08356 142.2
[M+K]+ 187.01290 135.8
[M+H-H2O]+ 131.04700 117.2
[M+HCOO]- 193.04794 147.6
[M+CH3COO]- 207.06359 140.5
[M+Na-2H]- 169.02441 137.6
[M]+ 148.04919 127.5
[M]- 148.05029 127.5
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

No patent data available for this compound.