CID 13342535

80917-39-1

Structural Information

Molecular Formula

C₁₁H₁₃NO₂

SMILES

C1CCN(C1)C(=O)C2=CC(=CC=C2)O

InChI

InChI=1S/C11H13NO2/c13-10-5-3-4-9(8-10)11(14)12-6-1-2-7-12/h3-5,8,13H,1-2,6-7H2

InChIKey

CPEDRCTWMPTANX-UHFFFAOYSA-N

Compound name

(3-hydroxyphenyl)-pyrrolidin-1-ylmethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 18
Patents: 191.09464 Da
Monoisotopic Mass: 1.5
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	142.8
[M+Na]+	214.08386	153.8
[M+NH4]+	209.12846	150.8
[M+K]+	230.05780	150.0
[M-H]-	190.08736	144.8
[M+Na-2H]-	212.06931	148.8
[M]+	191.09409	144.6
[M]-	191.09519	144.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe