CID 3021776

Cyclohexylamine, n-allyl-n-methyl-1-phenyl-, hydrochloride

Structural Information

Molecular Formula

C₁₆H₂₃N

SMILES

CN(CC=C)C1(CCCCC1)C2=CC=CC=C2

InChI

InChI=1S/C16H23N/c1-3-14-17(2)16(12-8-5-9-13-16)15-10-6-4-7-11-15/h3-4,6-7,10-11H,1,5,8-9,12-14H2,2H3

InChIKey

OACOKDOAVXIOFK-UHFFFAOYSA-N

Compound name

N-methyl-1-phenyl-N-prop-2-enylcyclohexan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 229.18304 Da
Monoisotopic Mass: 4.0
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]+	230.190316	156.2
[M+Na]+	252.172258	159.3
[M-H]-	228.175764	162.8
[M+NH4]+	247.216863	175.8
[M+K]+	268.146198	156.6
[M+H-H2O]+	212.180300	148.5
[M+HCOO]-	274.181241	177.3
[M+CH3COO]-	288.196891	196.1
[M+Na-2H]-	250.157706	160.6
[M]+	229.18249142	151.7
[M]-	229.18358858	151.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.