CID 10921343

Benzyl 2-azidoacetate

Structural Information

Molecular Formula

C₉H₉N₃O₂

SMILES

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

InChI

InChI=1S/C9H9N3O2/c10-12-11-6-9(13)14-7-8-4-2-1-3-5-8/h1-5H,6-7H2

InChIKey

FFHGCXRBGUYALU-UHFFFAOYSA-N

Compound name

benzyl 2-azidoacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 28
Patents: 191.06947 Da
Monoisotopic Mass: 2.7
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]+	192.07675	139.2
[M+Na]+	214.05869	151.5
[M+NH4]+	209.10329	147.5
[M+K]+	230.03263	146.7
[M-H]-	190.06219	144.1
[M+Na-2H]-	212.04414	147.1
[M]+	191.06892	142.0
[M]-	191.07002	142.0

Literature stripe

literature stripe

Patent stripe

patents stripe