CID 100643

5-(3-aminophenyl)tetrazole

Structural Information

Molecular Formula

C₇H₇N₅

SMILES

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

InChI

InChI=1S/C7H7N5/c8-6-3-1-2-5(4-6)7-9-11-12-10-7/h1-4H,8H2,(H,9,10,11,12)

InChIKey

FLGISLVJQPPAMV-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 721
Patents: 161.07014 Da
Monoisotopic Mass: 0.5
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]+	162.07742	131.4
[M+Na]+	184.05936	144.0
[M+NH4]+	179.10396	138.4
[M+K]+	200.03330	140.5
[M-H]-	160.06286	132.8
[M+Na-2H]-	182.04481	139.6
[M]+	161.06959	133.3
[M]-	161.07069	133.3

Literature stripe

literature stripe

Patent stripe

patents stripe