CID 3051542

67466-38-0

Structural Information

Molecular Formula

C₁₀H₁₂ClNO

SMILES

C1CNCC1(C2=CC(=CC=C2)Cl)O

InChI

InChI=1S/C10H12ClNO/c11-9-3-1-2-8(6-9)10(13)4-5-12-7-10/h1-3,6,12-13H,4-5,7H2

InChIKey

SUKUIJPKDGUVGV-UHFFFAOYSA-N

Compound name

3-(3-chlorophenyl)pyrrolidin-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 197.06075 Da
Monoisotopic Mass: 1.2
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]+	198.068026	141.5
[M+Na]+	220.049968	149.5
[M-H]-	196.053474	144.0
[M+NH4]+	215.094573	162.5
[M+K]+	236.023908	144.0
[M+H-H2O]+	180.058010	136.1
[M+HCOO]-	242.058951	156.4
[M+CH3COO]-	256.074601	153.7
[M+Na-2H]-	218.035416	146.0
[M]+	197.06020142	137.9
[M]-	197.06129858	137.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe