CID 3047203

63039-95-2

Structural Information

Molecular Formula

C₁₉H₃₁NO

SMILES

CC(C)CCC(CCN1CCCCC1)(C2=CC=CC=C2)O

InChI

InChI=1S/C19H31NO/c1-17(2)11-12-19(21,18-9-5-3-6-10-18)13-16-20-14-7-4-8-15-20/h3,5-6,9-10,17,21H,4,7-8,11-16H2,1-2H3

InChIKey

FHTWNTKDXPHJFT-UHFFFAOYSA-N

Compound name

6-methyl-3-phenyl-1-piperidin-1-ylheptan-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 289.24057 Da
Monoisotopic Mass: 4.2
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	175.0
[M+Na]+	312.229788	176.0
[M-H]-	288.233294	176.7
[M+NH4]+	307.274393	187.8
[M+K]+	328.203728	171.9
[M+H-H2O]+	272.237830	166.5
[M+HCOO]-	334.238771	188.1
[M+CH3COO]-	348.254421	201.3
[M+Na-2H]-	310.215236	176.5
[M]+	289.24002142	170.5
[M]-	289.24111858	170.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe