CID 469982

Schembl10867079

Structural Information

Molecular Formula

C₁₄H₂₈N₂O₂

SMILES

C1CCN(C(C1)CO)CCN2CCCCC2CO

InChI

InChI=1S/C14H28N2O2/c17-11-13-5-1-3-7-15(13)9-10-16-8-4-2-6-14(16)12-18/h13-14,17-18H,1-12H2

InChIKey

NALQGCWTPRAORB-UHFFFAOYSA-N

Compound name

[1-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]piperidin-2-yl]methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 256.2151 Da
Monoisotopic Mass: 0.8
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]+	257.22238	166.2
[M+Na]+	279.20432	167.5
[M-H]-	255.20782	165.1
[M+NH4]+	274.24892	178.5
[M+K]+	295.17826	163.9
[M+H-H2O]+	239.21236	157.4
[M+HCOO]-	301.21330	176.5
[M+CH3COO]-	315.22895	190.9
[M+Na-2H]-	277.18977	165.7
[M]+	256.21455	157.6
[M]-	256.21565	157.6

Literature stripe

literature stripe

Patent stripe

patents stripe