CID 18464794

52423-70-8

Structural Information

Molecular Formula

C₁₂H₁₆ClNO

SMILES

C1CNCC1(CCO)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C12H16ClNO/c13-11-3-1-10(2-4-11)12(6-8-15)5-7-14-9-12/h1-4,14-15H,5-9H2

InChIKey

ILTULPUUFNFODT-UHFFFAOYSA-N

Compound name

2-[3-(4-chlorophenyl)pyrrolidin-3-yl]ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 41
Patents: 225.09204 Da
Monoisotopic Mass: 2.0
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]+	226.099316	150.5
[M+Na]+	248.081258	157.6
[M-H]-	224.084764	152.7
[M+NH4]+	243.125863	170.3
[M+K]+	264.055198	151.6
[M+H-H2O]+	208.089300	144.6
[M+HCOO]-	270.090241	164.7
[M+CH3COO]-	284.105891	180.6
[M+Na-2H]-	246.066706	153.9
[M]+	225.09149142	147.5
[M]-	225.09258858	147.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe