CID 10199199

Desmethylsibutramine

Structural Information

Molecular Formula

C₁₆H₂₄ClN

SMILES

CC(C)CC(C1(CCC1)C2=CC=C(C=C2)Cl)NC

InChI

InChI=1S/C16H24ClN/c1-12(2)11-15(18-3)16(9-4-10-16)13-5-7-14(17)8-6-13/h5-8,12,15,18H,4,9-11H2,1-3H3

InChIKey

PLXKZKLXYHLWHR-UHFFFAOYSA-N

Compound name

1-[1-(4-chlorophenyl)cyclobutyl]-N,3-dimethylbutan-1-amine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 953
References: 368
Patents: 265.15973 Da
Monoisotopic Mass: 5.0
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]+	266.16701	164.3
[M+Na]+	288.14895	168.6
[M-H]-	264.15245	169.9
[M+NH4]+	283.19355	176.9
[M+K]+	304.12289	167.0
[M+H-H2O]+	248.15699	153.6
[M+HCOO]-	310.15793	179.4
[M+CH3COO]-	324.17358	204.2
[M+Na-2H]-	286.13440	165.9
[M]+	265.15918	173.1
[M]-	265.16028	173.1

Literature stripe

literature stripe

Patent stripe

patents stripe