CID 64865956

4-(pyrrolidine-2-carbonyl)phenol hydrochloride

Structural Information

Molecular Formula

C₁₁H₁₃NO₂

SMILES

C1CC(NC1)C(=O)C2=CC=C(C=C2)O

InChI

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

InChIKey

KTXAIQQSZAWCJP-UHFFFAOYSA-N

Compound name

(4-hydroxyphenyl)-pyrrolidin-2-ylmethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 191.09464 Da
Monoisotopic Mass: 1.4
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	142.0
[M+Na]+	214.083858	147.8
[M-H]-	190.087364	144.4
[M+NH4]+	209.128463	160.2
[M+K]+	230.057798	144.3
[M+H-H2O]+	174.091900	135.3
[M+HCOO]-	236.092841	160.6
[M+CH3COO]-	250.108491	176.3
[M+Na-2H]-	212.069306	144.3
[M]+	191.09409142	136.6
[M]-	191.09518858	136.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe