CID 12025111

Phenyl 3-hydroxyazetidine-1-carboxylate

Structural Information

Molecular Formula

C₁₀H₁₁NO₃

SMILES

C1C(CN1C(=O)OC2=CC=CC=C2)O

InChI

InChI=1S/C10H11NO3/c12-8-6-11(7-8)10(13)14-9-4-2-1-3-5-9/h1-5,8,12H,6-7H2

InChIKey

YEJDNGGGLVFJJX-UHFFFAOYSA-N

Compound name

phenyl 3-hydroxyazetidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 193.0739 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]+	194.081176	137.6
[M+Na]+	216.063118	143.3
[M-H]-	192.066624	141.4
[M+NH4]+	211.107723	148.4
[M+K]+	232.037058	144.9
[M+H-H2O]+	176.071160	125.3
[M+HCOO]-	238.072101	157.1
[M+CH3COO]-	252.087751	181.9
[M+Na-2H]-	214.048566	142.6
[M]+	193.07335142	145.4
[M]-	193.07444858	145.4

Literature stripe

literature stripe

Patent stripe

patents stripe