CID 16793964

[2-(cyclopentyloxy)phenyl]methanamine

Structural Information

Molecular Formula

C₁₂H₁₇NO

SMILES

C1CCC(C1)OC2=CC=CC=C2CN

InChI

InChI=1S/C12H17NO/c13-9-10-5-1-4-8-12(10)14-11-6-2-3-7-11/h1,4-5,8,11H,2-3,6-7,9,13H2

InChIKey

NYCBHEMCYMXECF-UHFFFAOYSA-N

Compound name

(2-cyclopentyloxyphenyl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 33
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	144.1
[M+Na]+	214.12023	154.9
[M+NH4]+	209.16483	153.4
[M+K]+	230.09417	149.6
[M-H]-	190.12373	148.5
[M+Na-2H]-	212.10568	151.1
[M]+	191.13046	146.7
[M]-	191.13156	146.7

Literature stripe

literature stripe

Patent stripe

patents stripe