CID 16790924

4-[(cyclopentyloxy)methyl]aniline

Structural Information

Molecular Formula

C₁₂H₁₇NO

SMILES

C1CCC(C1)OCC2=CC=C(C=C2)N

InChI

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

InChIKey

PJOKBXNWJFKWSX-UHFFFAOYSA-N

Compound name

4-(cyclopentyloxymethyl)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 191.13101 Da
Monoisotopic Mass: 2.2
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]+	192.138286	142.7
[M+Na]+	214.120228	148.1
[M-H]-	190.123734	148.4
[M+NH4]+	209.164833	163.3
[M+K]+	230.094168	145.3
[M+H-H2O]+	174.128270	136.0
[M+HCOO]-	236.129211	166.3
[M+CH3COO]-	250.144861	183.9
[M+Na-2H]-	212.105676	146.1
[M]+	191.13046142	139.1
[M]-	191.13155858	139.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe