CID 68906

Octapinol

Structural Information

Molecular Formula

C₁₅H₃₁NO

SMILES

CCCC(CCC)CC1CCN(CC1)CCO

InChI

InChI=1S/C15H31NO/c1-3-5-14(6-4-2)13-15-7-9-16(10-8-15)11-12-17/h14-15,17H,3-13H2,1-2H3

InChIKey

RWMSXNCJNSILON-UHFFFAOYSA-N

Compound name

2-[4-(2-propylpentyl)piperidin-1-yl]ethanol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 6
References: 4792
Patents: 241.24057 Da
Monoisotopic Mass: 4.4
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]+	242.247846	165.2
[M+Na]+	264.229788	167.1
[M-H]-	240.233294	164.0
[M+NH4]+	259.274393	180.7
[M+K]+	280.203728	164.4
[M+H-H2O]+	224.237830	157.9
[M+HCOO]-	286.238771	179.7
[M+CH3COO]-	300.254421	194.5
[M+Na-2H]-	262.215236	164.7
[M]+	241.24002142	162.8
[M]-	241.24111858	162.8

Literature stripe

literature stripe

Patent stripe

patents stripe