CID 3051568

67466-51-7

Structural Information

Molecular Formula

C₁₁H₁₃Cl₂NO

SMILES

CC1CC(CN1)(C2=CC(=C(C=C2)Cl)Cl)O

InChI

InChI=1S/C11H13Cl2NO/c1-7-5-11(15,6-14-7)8-2-3-9(12)10(13)4-8/h2-4,7,14-15H,5-6H2,1H3

InChIKey

SDZVORGOTYWWMX-UHFFFAOYSA-N

Compound name

3-(3,4-dichlorophenyl)-5-methylpyrrolidin-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 245.03741 Da
Monoisotopic Mass: 2.3
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]+	246.044686	150.9
[M+Na]+	268.026628	160.6
[M-H]-	244.030134	153.2
[M+NH4]+	263.071233	170.9
[M+K]+	284.000568	153.6
[M+H-H2O]+	228.034670	146.4
[M+HCOO]-	290.035611	160.4
[M+CH3COO]-	304.051261	162.6
[M+Na-2H]-	266.012076	152.8
[M]+	245.03686142	149.4
[M]-	245.03795858	149.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.