CID 15669418

(3r)-1-benzoylpyrrolidin-3-ol

Structural Information

Molecular Formula

C₁₁H₁₃NO₂

SMILES

C1CN(C[C@@H]1O)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C11H13NO2/c13-10-6-7-12(8-10)11(14)9-4-2-1-3-5-9/h1-5,10,13H,6-8H2/t10-/m1/s1

InChIKey

NZIAOXLDVHVVAD-SNVBAGLBSA-N

Compound name

[(3R)-3-hydroxypyrrolidin-1-yl]-phenylmethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
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	141.7
[M+Na]+	214.083858	148.0
[M-H]-	190.087364	145.5
[M+NH4]+	209.128463	160.7
[M+K]+	230.057798	145.4
[M+H-H2O]+	174.091900	134.8
[M+HCOO]-	236.092841	161.9
[M+CH3COO]-	250.108491	178.1
[M+Na-2H]-	212.069306	144.4
[M]+	191.09409142	138.1
[M]-	191.09518858	138.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe