CID 82512132

1909318-91-7

Structural Information

Molecular Formula

C₈H₉N₅

SMILES

C1=CC(=CC(=C1)N2C=NN=N2)CN

InChI

InChI=1S/C8H9N5/c9-5-7-2-1-3-8(4-7)13-6-10-11-12-13/h1-4,6H,5,9H2

InChIKey

IMAJTCGQBVIKHV-UHFFFAOYSA-N

Compound name

[3-(tetrazol-1-yl)phenyl]methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 175.0858 Da
Monoisotopic Mass: -0.1
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]+	176.093076	135.5
[M+Na]+	198.075018	144.9
[M-H]-	174.078524	137.0
[M+NH4]+	193.119623	151.4
[M+K]+	214.048958	141.5
[M+H-H2O]+	158.083060	125.9
[M+HCOO]-	220.084001	157.8
[M+CH3COO]-	234.099651	148.2
[M+Na-2H]-	196.060466	143.0
[M]+	175.08525142	134.1
[M]-	175.08634858	134.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe