CID 70678119

1398705-10-6

Structural Information

Molecular Formula

C₁₀H₁₃NO

SMILES

C1C(CN1)C(C2=CC=CC=C2)O

InChI

InChI=1S/C10H13NO/c12-10(9-6-11-7-9)8-4-2-1-3-5-8/h1-5,9-12H,6-7H2

InChIKey

RWCTUQGKUCSGTO-UHFFFAOYSA-N

Compound name

azetidin-3-yl(phenyl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 3
Patents: 163.09972 Da
Monoisotopic Mass: 0.7
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	134.1
[M+Na]+	186.088938	138.5
[M-H]-	162.092444	136.2
[M+NH4]+	181.133543	145.3
[M+K]+	202.062878	138.6
[M+H-H2O]+	146.096980	122.3
[M+HCOO]-	208.097921	151.6
[M+CH3COO]-	222.113571	176.4
[M+Na-2H]-	184.074386	139.3
[M]+	163.09917142	137.8
[M]-	163.10026858	137.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.