CID 164846

2-azido-1-methylbenzimidazole

Structural Information

Molecular Formula

C₈H₇N₅

SMILES

CN1C2=CC=CC=C2N=C1N=[N+]=[N-]

InChI

InChI=1S/C8H7N5/c1-13-7-5-3-2-4-6(7)10-8(13)11-12-9/h2-5H,1H3

InChIKey

UEBPHCPFYTWTGN-UHFFFAOYSA-N

Compound name

2-azido-1-methylbenzimidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 173.07014 Da
Monoisotopic Mass: 2.6
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]+	174.07742	130.6
[M+Na]+	196.05936	145.3
[M+NH4]+	191.10396	139.8
[M+K]+	212.03330	141.7
[M-H]-	172.06286	135.7
[M+Na-2H]-	194.04481	139.4
[M]+	173.06959	134.0
[M]-	173.07069	134.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.