CID 3044148

31012 cb

Structural Information

Molecular Formula

C₁₇H₂₆ClN

SMILES

CN(C)CCCC1=CC(=C(C=C1)C2CCCCC2)Cl

InChI

InChI=1S/C17H26ClN/c1-19(2)12-6-7-14-10-11-16(17(18)13-14)15-8-4-3-5-9-15/h10-11,13,15H,3-9,12H2,1-2H3

InChIKey

OLDZLPSYIBAQMJ-UHFFFAOYSA-N

Compound name

3-(3-chloro-4-cyclohexylphenyl)-N,N-dimethylpropan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 279.17538 Da
Monoisotopic Mass: 5.7
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	173.2
[M-H]-	278.168104	175.4
[M+NH4]+	297.209203	186.1
[M+K]+	318.138538	168.5
[M+H-H2O]+	262.172640	161.6
[M+HCOO]-	324.173581	184.9
[M+CH3COO]-	338.189231	206.3
[M+Na-2H]-	300.150046	169.9
[M]+	279.17483142	168.3
[M]-	279.17592858	168.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe