CID 3051546

67466-40-4

Structural Information

Molecular Formula

C₁₀H₁₂ClNO

SMILES

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

InChI

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

InChIKey

CAVQGCMJFBZRLQ-UHFFFAOYSA-N

Compound name

3-(4-chlorophenyl)pyrrolidin-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 77
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]+	198.06803	141.5
[M+Na]+	220.04997	149.5
[M-H]-	196.05347	144.0
[M+NH4]+	215.09457	162.5
[M+K]+	236.02391	144.0
[M+H-H2O]+	180.05801	136.1
[M+HCOO]-	242.05895	156.4
[M+CH3COO]-	256.07460	153.7
[M+Na-2H]-	218.03542	146.0
[M]+	197.06020	137.9
[M]-	197.06130	137.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe