CID 65953055

Phenyl 3-hydroxy-3-methylazetidine-1-carboxylate

Structural Information

Molecular Formula

C₁₁H₁₃NO₃

SMILES

CC1(CN(C1)C(=O)OC2=CC=CC=C2)O

InChI

InChI=1S/C11H13NO3/c1-11(14)7-12(8-11)10(13)15-9-5-3-2-4-6-9/h2-6,14H,7-8H2,1H3

InChIKey

JKKVDTYOHWNKSR-UHFFFAOYSA-N

Compound name

phenyl 3-hydroxy-3-methylazetidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 207.08954 Da
Monoisotopic Mass: 1.0
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]+	208.096816	144.3
[M+Na]+	230.078758	150.6
[M-H]-	206.082264	148.5
[M+NH4]+	225.123363	156.6
[M+K]+	246.052698	152.0
[M+H-H2O]+	190.086800	133.1
[M+HCOO]-	252.087741	163.5
[M+CH3COO]-	266.103391	184.3
[M+Na-2H]-	228.064206	149.7
[M]+	207.08899142	152.8
[M]-	207.09008858	152.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.