CID 21469564

2-(1h-1,2,3,4-tetrazol-5-ylmethyl)pyridine dihydrochloride

Structural Information

Molecular Formula
C7H7N5
SMILES
C1=CC=NC(=C1)CC2=NNN=N2
InChI
InChI=1S/C7H7N5/c1-2-4-8-6(3-1)5-7-9-11-12-10-7/h1-4H,5H2,(H,9,10,11,12)
InChIKey
RSFVRXVCIYJIFX-UHFFFAOYSA-N
Compound name
2-(2H-tetrazol-5-ylmethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

12
Patents

161.07014 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.07742 132.3
[M+Na]+ 184.05936 145.8
[M+NH4]+ 179.10396 139.1
[M+K]+ 200.03330 141.7
[M-H]- 160.06286 132.7
[M+Na-2H]- 182.04481 141.0
[M]+ 161.06959 134.1
[M]- 161.07069 134.1
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