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: 22
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]+	192.076746	138.5
[M+Na]+	214.058688	144.4
[M-H]-	190.062194	144.6
[M+NH4]+	209.103293	157.7
[M+K]+	230.032628	139.2
[M+H-H2O]+	174.066730	135.8
[M+HCOO]-	236.067671	169.5
[M+CH3COO]-	250.083321	184.6
[M+Na-2H]-	212.044136	148.8
[M]+	191.06892142	137.8
[M]-	191.07001858	137.8

Literature stripe

literature stripe

Patent stripe

patents stripe