CID 16786769

864266-60-4

Structural Information

Molecular Formula

C₁₂H₁₇NO

SMILES

C1CCC(C1)OC2=CC=C(C=C2)CN

InChI

InChI=1S/C12H17NO/c13-9-10-5-7-12(8-6-10)14-11-3-1-2-4-11/h5-8,11H,1-4,9,13H2

InChIKey

RGJQWOYBWZMZKZ-UHFFFAOYSA-N

Compound name

(4-cyclopentyloxyphenyl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 28
Patents: 191.13101 Da
Monoisotopic Mass: 2.0
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]+	192.13829	142.7
[M+Na]+	214.12023	148.1
[M-H]-	190.12373	148.4
[M+NH4]+	209.16483	163.3
[M+K]+	230.09417	145.3
[M+H-H2O]+	174.12827	136.0
[M+HCOO]-	236.12921	166.3
[M+CH3COO]-	250.14486	183.9
[M+Na-2H]-	212.10568	146.1
[M]+	191.13046	139.1
[M]-	191.13156	139.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe