CID 2114008

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

Structural Information

Molecular Formula

C₈H₉N₅

SMILES

CC1=C(C=CC=C1N2C=NN=N2)N

InChI

InChI=1S/C8H9N5/c1-6-7(9)3-2-4-8(6)13-5-10-11-12-13/h2-5H,9H2,1H3

InChIKey

OALSJBQUHRHSOK-UHFFFAOYSA-N

Compound name

2-methyl-3-(tetrazol-1-yl)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 0
Patents: 175.0858 Da
Monoisotopic Mass: 0.8
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]+	176.09308	135.7
[M+Na]+	198.07502	149.1
[M+NH4]+	193.11962	143.0
[M+K]+	214.04896	145.3
[M-H]-	174.07852	137.8
[M+Na-2H]-	196.06047	144.1
[M]+	175.08525	138.0
[M]-	175.08635	138.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.