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: 1
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]+	190.15903	145.6
[M+Na]+	212.14097	156.3
[M+NH4]+	207.18557	155.3
[M+K]+	228.11491	151.1
[M-H]-	188.14447	150.4
[M+Na-2H]-	210.12642	152.5
[M]+	189.15120	148.3
[M]-	189.15230	148.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe