CID 95204

5-methyl-1-phenyl-1h-tetrazole

Structural Information

Molecular Formula

C₈H₈N₄

SMILES

CC1=NN=NN1C2=CC=CC=C2

InChI

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

InChIKey

QYSASSWEUXOZEQ-UHFFFAOYSA-N

Compound name

5-methyl-1-phenyltetrazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 193
Patents: 160.07489 Da
Monoisotopic Mass: 1.6
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]+	161.082166	131.8
[M+Na]+	183.064108	142.1
[M-H]-	159.067614	133.6
[M+NH4]+	178.108713	148.9
[M+K]+	199.038048	139.1
[M+H-H2O]+	143.072150	122.4
[M+HCOO]-	205.073091	153.6
[M+CH3COO]-	219.088741	145.2
[M+Na-2H]-	181.049556	139.6
[M]+	160.07434142	132.0
[M]-	160.07543858	132.0

Literature stripe

literature stripe

Patent stripe

patents stripe