CID 12638196

76105-83-4

Structural Information

Molecular Formula

C₆H₆N₆

SMILES

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

InChI

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

InChIKey

FADGFMYUPVUGEU-UHFFFAOYSA-N

Compound name

1-pyridin-2-yltetrazol-5-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 162.0654 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]+	163.072676	131.6
[M+Na]+	185.054618	141.9
[M-H]-	161.058124	132.0
[M+NH4]+	180.099223	146.6
[M+K]+	201.028558	138.6
[M+H-H2O]+	145.062660	121.5
[M+HCOO]-	207.063601	153.0
[M+CH3COO]-	221.079251	144.3
[M+Na-2H]-	183.040066	139.9
[M]+	162.06485142	129.9
[M]-	162.06594858	129.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.