CID 3062309

80649-41-8

Structural Information

Molecular Formula

C₁₃H₁₉N

SMILES

CC(C1=CC=C(C=C1)C2CCCC2)N

InChI

InChI=1S/C13H19N/c1-10(14)11-6-8-13(9-7-11)12-4-2-3-5-12/h6-10,12H,2-5,14H2,1H3

InChIKey

JMCJZAWQIBSHBV-UHFFFAOYSA-N

Compound name

1-(4-cyclopentylphenyl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 189.15175 Da
Monoisotopic Mass: 3.2
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]+	190.159026	144.9
[M+Na]+	212.140968	149.7
[M-H]-	188.144474	150.6
[M+NH4]+	207.185573	165.6
[M+K]+	228.114908	146.6
[M+H-H2O]+	172.149010	138.3
[M+HCOO]-	234.149951	167.0
[M+CH3COO]-	248.165601	185.8
[M+Na-2H]-	210.126416	146.5
[M]+	189.15120142	139.6
[M]-	189.15229858	139.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe