CID 12152

Benzyl azide

Structural Information

Molecular Formula

C₇H₇N₃

SMILES

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

InChI

InChI=1S/C7H7N3/c8-10-9-6-7-4-2-1-3-5-7/h1-5H,6H2

InChIKey

UDLLFLQFQMACJB-UHFFFAOYSA-N

Compound name

azidomethylbenzene

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 56
References: 2928
Patents: 133.064 Da
Monoisotopic Mass: 2.8
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]+	134.071276	122.7
[M+Na]+	156.053218	129.6
[M-H]-	132.056724	129.1
[M+NH4]+	151.097823	144.5
[M+K]+	172.027158	124.2
[M+H-H2O]+	116.061260	120.8
[M+HCOO]-	178.062201	154.7
[M+CH3COO]-	192.077851	175.6
[M+Na-2H]-	154.038666	135.2
[M]+	133.06345142	120.1
[M]-	133.06454858	120.1

Literature stripe

literature stripe

Patent stripe

patents stripe