CID 65918816

2460755-00-2

Structural Information

Molecular Formula

C₁₀H₁₃NO

SMILES

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

InChI

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

InChIKey

IFSUWSPASIPPPU-UHFFFAOYSA-N

Compound name

3-(4-methylphenyl)azetidin-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
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]+	164.10700	135.0
[M+Na]+	186.08894	141.6
[M-H]-	162.09244	137.9
[M+NH4]+	181.13354	148.7
[M+K]+	202.06288	141.2
[M+H-H2O]+	146.09698	124.5
[M+HCOO]-	208.09792	153.6
[M+CH3COO]-	222.11357	176.2
[M+Na-2H]-	184.07439	141.7
[M]+	163.09917	140.1
[M]-	163.10027	140.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe