CID 141040

5-anilinotetrazole

Structural Information

Molecular Formula

C₇H₇N₅

SMILES

C1=CC=C(C=C1)NC2=NNN=N2

InChI

InChI=1S/C7H7N5/c1-2-4-6(5-3-1)8-7-9-11-12-10-7/h1-5H,(H2,8,9,10,11,12)

InChIKey

JJGVUQXLNNGWPZ-UHFFFAOYSA-N

Compound name

N-phenyl-2H-tetrazol-5-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 92
Patents: 161.07014 Da
Monoisotopic Mass: 1.3
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	131.2
[M+Na]+	184.05936	143.7
[M+NH4]+	179.10396	138.4
[M+K]+	200.03330	139.8
[M-H]-	160.06286	132.7
[M+Na-2H]-	182.04481	140.2
[M]+	161.06959	133.1
[M]-	161.07069	133.1

Literature stripe

literature stripe

Patent stripe

patents stripe