CID 1079216

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

Structural Information

Molecular Formula

C₇H₇N₅

SMILES

C1=CC(=CC=C1C2=NNN=N2)N

InChI

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

InChIKey

KTPONJJKCBOJCQ-UHFFFAOYSA-N

Compound name

4-(2H-tetrazol-5-yl)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 499
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	131.6
[M+Na]+	184.05936	141.1
[M-H]-	160.06286	131.9
[M+NH4]+	179.10396	147.4
[M+K]+	200.03330	137.0
[M+H-H2O]+	144.06740	122.5
[M+HCOO]-	206.06834	152.8
[M+CH3COO]-	220.08399	144.0
[M+Na-2H]-	182.04481	139.1
[M]+	161.06959	128.0
[M]-	161.07069	128.0

Literature stripe

literature stripe

Patent stripe

patents stripe