CID 3801345

54881-13-9

Structural Information

Molecular Formula

C₁₀H₁₃NO

SMILES

C1C(CN1CC2=CC=CC=C2)O

InChI

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

InChIKey

JOXQHYFVXZZGQZ-UHFFFAOYSA-N

Compound name

1-benzylazetidin-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 181
Patents: 163.09972 Da
Monoisotopic Mass: 0.9
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	131.2
[M+Na]+	186.088938	137.3
[M-H]-	162.092444	135.0
[M+NH4]+	181.133543	143.5
[M+K]+	202.062878	137.8
[M+H-H2O]+	146.096980	119.5
[M+HCOO]-	208.097921	151.3
[M+CH3COO]-	222.113571	179.2
[M+Na-2H]-	184.074386	137.6
[M]+	163.09917142	137.8
[M]-	163.10026858	137.8

Literature stripe

literature stripe

Patent stripe

patents stripe