CID 134772

Didesmethylsibutramine

Structural Information

Molecular Formula

C₁₅H₂₂ClN

SMILES

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

InChI

InChI=1S/C15H22ClN/c1-11(2)10-14(17)15(8-3-9-15)12-4-6-13(16)7-5-12/h4-7,11,14H,3,8-10,17H2,1-2H3

InChIKey

WQSACWZKKZPCHN-UHFFFAOYSA-N

Compound name

1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutan-1-amine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 953
References: 414
Patents: 251.14407 Da
Monoisotopic Mass: 4.5
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]+	252.15135	160.8
[M+Na]+	274.13329	165.6
[M-H]-	250.13679	166.1
[M+NH4]+	269.17789	173.7
[M+K]+	290.10723	163.8
[M+H-H2O]+	234.14133	150.4
[M+HCOO]-	296.14227	175.6
[M+CH3COO]-	310.15792	200.7
[M+Na-2H]-	272.11874	161.9
[M]+	251.14352	168.3
[M]-	251.14462	168.3

Literature stripe

literature stripe

Patent stripe

patents stripe