CID 131258247

4-(1h-1,2,3,4-tetrazol-5-yl)pyridin-2-amine

Structural Information

Molecular Formula

C₆H₆N₆

SMILES

C1=CN=C(C=C1C2=NNN=N2)N

InChI

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

InChIKey

RTEIDYNFZJFBJF-UHFFFAOYSA-N

Compound name

4-(2H-tetrazol-5-yl)pyridin-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 162.0654 Da
Monoisotopic Mass: -0.3
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	132.1
[M+Na]+	185.05462	142.0
[M-H]-	161.05812	131.2
[M+NH4]+	180.09922	146.4
[M+K]+	201.02856	137.9
[M+H-H2O]+	145.06266	122.4
[M+HCOO]-	207.06360	152.1
[M+CH3COO]-	221.07925	144.1
[M+Na-2H]-	183.04007	140.0
[M]+	162.06485	128.7
[M]-	162.06595	128.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe