CID 200557

3-(4-fluorophenyl)pyrrolidin-3-ol hydrochloride

Structural Information

Molecular Formula

C₁₀H₁₂FNO

SMILES

C1CNCC1(C2=CC=C(C=C2)F)O

InChI

InChI=1S/C10H12FNO/c11-9-3-1-8(2-4-9)10(13)5-6-12-7-10/h1-4,12-13H,5-7H2

InChIKey

SRXUUXXOHYMXMQ-UHFFFAOYSA-N

Compound name

3-(4-fluorophenyl)pyrrolidin-3-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 6
References: 13
Patents: 181.09029 Da
Monoisotopic Mass: 0.7
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]+	182.097566	137.5
[M+Na]+	204.079508	144.9
[M-H]-	180.083014	138.9
[M+NH4]+	199.124113	158.3
[M+K]+	220.053448	140.8
[M+H-H2O]+	164.087550	130.7
[M+HCOO]-	226.088491	156.1
[M+CH3COO]-	240.104141	149.6
[M+Na-2H]-	202.064956	142.0
[M]+	181.08974142	130.9
[M]-	181.09083858	130.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe