CID 116587485

Rac-(3r,4r)-4-benzoyloxolan-3-amine hydrochloride

Structural Information

Molecular Formula

C₁₁H₁₃NO₂

SMILES

C1C(C(CO1)N)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C11H13NO2/c12-10-7-14-6-9(10)11(13)8-4-2-1-3-5-8/h1-5,9-10H,6-7,12H2

InChIKey

NIRDMPWJYQTMJJ-UHFFFAOYSA-N

Compound name

(4-aminooxolan-3-yl)-phenylmethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 191.09464 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]+	192.101916	141.3
[M+Na]+	214.083858	147.2
[M-H]-	190.087364	148.0
[M+NH4]+	209.128463	160.4
[M+K]+	230.057798	146.0
[M+H-H2O]+	174.091900	134.9
[M+HCOO]-	236.092841	163.7
[M+CH3COO]-	250.108491	183.0
[M+Na-2H]-	212.069306	144.8
[M]+	191.09409142	138.1
[M]-	191.09518858	138.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe