CID 7558

Propylhexedrine

Structural Information

Molecular Formula

C₁₀H₂₁N

SMILES

CC(CC1CCCCC1)NC

InChI

InChI=1S/C10H21N/c1-9(11-2)8-10-6-4-3-5-7-10/h9-11H,3-8H2,1-2H3

InChIKey

JCRIVQIOJSSCQD-UHFFFAOYSA-N

Compound name

1-cyclohexyl-N-methylpropan-2-amine

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 12
References: 11658
Patents: 155.1674 Da
Monoisotopic Mass: 3.5
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]+	156.17468	138.7
[M+Na]+	178.15662	141.4
[M-H]-	154.16012	141.0
[M+NH4]+	173.20122	159.1
[M+K]+	194.13056	140.4
[M+H-H2O]+	138.16466	132.7
[M+HCOO]-	200.16560	158.6
[M+CH3COO]-	214.18125	181.2
[M+Na-2H]-	176.14207	142.4
[M]+	155.16685	133.2
[M]-	155.16795	133.2

Literature stripe

literature stripe

Patent stripe

patents stripe