CID 2934243

1008233-79-1

Structural Information

Molecular Formula

C₁₉H₃₁NO

SMILES

CC1CCCN(C1)CCOC2=C(C=CC(=C2)C)C(C)(C)C

InChI

InChI=1S/C19H31NO/c1-15-8-9-17(19(3,4)5)18(13-15)21-12-11-20-10-6-7-16(2)14-20/h8-9,13,16H,6-7,10-12,14H2,1-5H3

InChIKey

PICXSYRGOPRWNV-UHFFFAOYSA-N

Compound name

1-[2-(2-tert-butyl-5-methylphenoxy)ethyl]-3-methylpiperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 289.24057 Da
Monoisotopic Mass: 5.2
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]+	290.247846	174.4
[M+Na]+	312.229788	179.1
[M-H]-	288.233294	178.7
[M+NH4]+	307.274393	189.1
[M+K]+	328.203728	175.6
[M+H-H2O]+	272.237830	166.3
[M+HCOO]-	334.238771	190.1
[M+CH3COO]-	348.254421	205.9
[M+Na-2H]-	310.215236	175.4
[M]+	289.24002142	173.5
[M]-	289.24111858	173.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe