CID 21438660

(3-azidophenyl)methanamine

Structural Information

Molecular Formula

C₇H₈N₄

SMILES

C1=CC(=CC(=C1)N=[N+]=[N-])CN

InChI

InChI=1S/C7H8N4/c8-5-6-2-1-3-7(4-6)10-11-9/h1-4H,5,8H2

InChIKey

KNFDAIKICIALGY-UHFFFAOYSA-N

Compound name

(3-azidophenyl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 148.07489 Da
Monoisotopic Mass: 1.7
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]+	149.08217	127.5
[M+Na]+	171.06411	140.2
[M+NH4]+	166.10871	136.9
[M+K]+	187.03805	135.0
[M-H]-	147.06761	134.1
[M+Na-2H]-	169.04956	136.3
[M]+	148.07434	130.9
[M]-	148.07544	130.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe