CID 129318747

2727060-96-8

Structural Information

Molecular Formula

C₁₇H₂₆ClN

SMILES

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

InChI

InChI=1S/C17H26ClN/c1-13(2)11-16(19(3)4)17(9-6-10-17)14-7-5-8-15(18)12-14/h5,7-8,12-13,16H,6,9-11H2,1-4H3

InChIKey

WEMRCYBXBZWSBU-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 279.17538 Da
Monoisotopic Mass: 5.4
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]+	280.182656	169.0
[M+Na]+	302.164598	173.0
[M-H]-	278.168104	175.9
[M+NH4]+	297.209203	181.6
[M+K]+	318.138538	172.5
[M+H-H2O]+	262.172640	157.9
[M+HCOO]-	324.173581	184.2
[M+CH3COO]-	338.189231	210.5
[M+Na-2H]-	300.150046	169.3
[M]+	279.17483142	179.3
[M]-	279.17592858	179.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.