CID 583308

5-(m-tolyl)-1h-tetrazole

Structural Information

Molecular Formula

C₈H₈N₄

SMILES

CC1=CC(=CC=C1)C2=NNN=N2

InChI

InChI=1S/C8H8N4/c1-6-3-2-4-7(5-6)8-9-11-12-10-8/h2-5H,1H3,(H,9,10,11,12)

InChIKey

GWZNHKMUSLKULV-UHFFFAOYSA-N

Compound name

5-(3-methylphenyl)-2H-tetrazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 267
Patents: 160.07489 Da
Monoisotopic Mass: 1.5
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]+	161.08217	132.8
[M+Na]+	183.06411	146.8
[M+NH4]+	178.10871	140.3
[M+K]+	199.03805	142.3
[M-H]-	159.06761	134.1
[M+Na-2H]-	181.04956	141.5
[M]+	160.07434	135.0
[M]-	160.07544	135.0

Literature stripe

literature stripe

Patent stripe

patents stripe