CID 104315

52762-69-3

Structural Information

Molecular Formula

C₁₉H₃₁NO

SMILES

CC(C)(C)C1=CC(=C(C=C1)OCCCCN)C2CCCC2

InChI

InChI=1S/C19H31NO/c1-19(2,3)16-10-11-18(21-13-7-6-12-20)17(14-16)15-8-4-5-9-15/h10-11,14-15H,4-9,12-13,20H2,1-3H3

InChIKey

HQYSGCWZWRSPJJ-UHFFFAOYSA-N

Compound name

4-(4-tert-butyl-2-cyclopentylphenoxy)butan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 289.24057 Da
Monoisotopic Mass: 5.3
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]+	290.247846	174.9
[M+Na]+	312.229788	178.7
[M-H]-	288.233294	180.1
[M+NH4]+	307.274393	192.0
[M+K]+	328.203728	174.8
[M+H-H2O]+	272.237830	167.9
[M+HCOO]-	334.238771	194.5
[M+CH3COO]-	348.254421	205.9
[M+Na-2H]-	310.215236	174.6
[M]+	289.24002142	173.6
[M]-	289.24111858	173.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe