CID 15669418

135870-52-9

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: 9
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]+	192.10192	141.7
[M+Na]+	214.08386	148.0
[M-H]-	190.08736	145.5
[M+NH4]+	209.12846	160.7
[M+K]+	230.05780	145.4
[M+H-H2O]+	174.09190	134.8
[M+HCOO]-	236.09284	161.9
[M+CH3COO]-	250.10849	178.1
[M+Na-2H]-	212.06931	144.4
[M]+	191.09409	138.1
[M]-	191.09519	138.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe