CID 23092060

1,4'-bipiperidin-3-ylmethanol

Structural Information

Molecular Formula

C₁₁H₂₂N₂O

SMILES

C1CC(CN(C1)C2CCNCC2)CO

InChI

InChI=1S/C11H22N2O/c14-9-10-2-1-7-13(8-10)11-3-5-12-6-4-11/h10-12,14H,1-9H2

InChIKey

PEQIEMJCOKSLBT-UHFFFAOYSA-N

Compound name

(1-piperidin-4-ylpiperidin-3-yl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 18
Patents: 198.17322 Da
Monoisotopic Mass: 0.4
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]+	199.18050	150.3
[M+Na]+	221.16244	151.9
[M-H]-	197.16594	149.4
[M+NH4]+	216.20704	164.6
[M+K]+	237.13638	148.5
[M+H-H2O]+	181.17048	141.9
[M+HCOO]-	243.17142	161.4
[M+CH3COO]-	257.18707	178.6
[M+Na-2H]-	219.14789	152.0
[M]+	198.17267	138.7
[M]-	198.17377	138.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe