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

literature stripe

Patent stripe

patents stripe