CID 66927338

1256834-66-8

Structural Information

Molecular Formula

C₆H₆N₆

SMILES

C1=CC(=NC=C1N)N2C=NN=N2

InChI

InChI=1S/C6H6N6/c7-5-1-2-6(8-3-5)12-4-9-10-11-12/h1-4H,7H2

InChIKey

DOBSDPJTZQQRKJ-UHFFFAOYSA-N

Compound name

6-(tetrazol-1-yl)pyridin-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 162.0654 Da
Monoisotopic Mass: -0.2
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]+	163.07268	131.6
[M+Na]+	185.05462	141.9
[M-H]-	161.05812	132.0
[M+NH4]+	180.09922	146.6
[M+K]+	201.02856	138.6
[M+H-H2O]+	145.06266	121.5
[M+HCOO]-	207.06360	153.0
[M+CH3COO]-	221.07925	144.3
[M+Na-2H]-	183.04007	139.9
[M]+	162.06485	129.9
[M]-	162.06595	129.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe