CID 151091

3-(2h-tetrazol-5-yl)pyridine

Structural Information

Molecular Formula

C₆H₅N₅

SMILES

C1=CC(=CN=C1)C2=NNN=N2

InChI

InChI=1S/C6H5N5/c1-2-5(4-7-3-1)6-8-10-11-9-6/h1-4H,(H,8,9,10,11)

InChIKey

SECHDFHDDVELCV-UHFFFAOYSA-N

Compound name

3-(2H-tetrazol-5-yl)pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 14
References: 180
Patents: 147.05449 Da
Monoisotopic Mass: 0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	148.06177	127.9
[M+Na]+	170.04371	141.6
[M+NH4]+	165.08831	134.8
[M+K]+	186.01765	137.8
[M-H]-	146.04721	128.3
[M+Na-2H]-	168.02916	136.9
[M]+	147.05394	129.7
[M]-	147.05504	129.7

Literature stripe

literature stripe

Patent stripe

patents stripe