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

14
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 141.6
[M-H]- 160.06286 131.1
[M+NH4]+ 179.10396 146.9
[M+K]+ 200.03330 137.9
[M+H-H2O]+ 144.06740 122.3
[M+HCOO]- 206.06834 151.5
[M+CH3COO]- 220.08399 144.3
[M+Na-2H]- 182.04481 140.8
[M]+ 161.06959 130.4
[M]- 161.07069 130.4
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