CID 65918604

2445792-67-4

Structural Information

Molecular Formula

C₁₀H₁₃NO

SMILES

CC1=CC(=CC=C1)C2(CNC2)O

InChI

InChI=1S/C10H13NO/c1-8-3-2-4-9(5-8)10(12)6-11-7-10/h2-5,11-12H,6-7H2,1H3

InChIKey

MLUFCQWSDLUMNP-UHFFFAOYSA-N

Compound name

3-(3-methylphenyl)azetidin-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 163.09972 Da
Monoisotopic Mass: 0.6
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]+	164.106996	135.0
[M+Na]+	186.088938	141.6
[M-H]-	162.092444	137.9
[M+NH4]+	181.133543	148.7
[M+K]+	202.062878	141.2
[M+H-H2O]+	146.096980	124.5
[M+HCOO]-	208.097921	153.6
[M+CH3COO]-	222.113571	176.2
[M+Na-2H]-	184.074386	141.7
[M]+	163.09917142	140.1
[M]-	163.10026858	140.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.