CID 3062311

80649-44-1

Structural Information

Molecular Formula

C₁₄H₂₁N

SMILES

CC(C1=CC=C(C=C1)C2CCCC2)NC

InChI

InChI=1S/C14H21N/c1-11(15-2)12-7-9-14(10-8-12)13-5-3-4-6-13/h7-11,13,15H,3-6H2,1-2H3

InChIKey

JOKWNDIXBFVGMY-UHFFFAOYSA-N

Compound name

1-(4-cyclopentylphenyl)-N-methylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 203.1674 Da
Monoisotopic Mass: 3.7
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]+	204.17468	149.1
[M+Na]+	226.15662	153.3
[M-H]-	202.16012	155.0
[M+NH4]+	221.20122	169.4
[M+K]+	242.13056	150.4
[M+H-H2O]+	186.16466	142.2
[M+HCOO]-	248.16560	171.4
[M+CH3COO]-	262.18125	189.5
[M+Na-2H]-	224.14207	151.0
[M]+	203.16685	145.1
[M]-	203.16795	145.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe