CID 10081755

128117-22-6

Structural Information

Molecular Formula

C₁₁H₁₃NO₃

SMILES

C1C(CN1C(=O)OCC2=CC=CC=C2)O

InChI

InChI=1S/C11H13NO3/c13-10-6-12(7-10)11(14)15-8-9-4-2-1-3-5-9/h1-5,10,13H,6-8H2

InChIKey

XJWSNDGCJMGHSR-UHFFFAOYSA-N

Compound name

benzyl 3-hydroxyazetidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 518
Patents: 207.08954 Da
Monoisotopic Mass: 0.8
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]+	208.09682	142.3
[M+Na]+	230.07876	147.5
[M-H]-	206.08226	145.9
[M+NH4]+	225.12336	152.5
[M+K]+	246.05270	148.9
[M+H-H2O]+	190.08680	129.8
[M+HCOO]-	252.08774	161.5
[M+CH3COO]-	266.10339	184.8
[M+Na-2H]-	228.06421	146.7
[M]+	207.08899	150.4
[M]-	207.09009	150.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe