CID 236587

Nsc39202

Structural Information

Molecular Formula

C₁₈H₃₂N₂O

SMILES

C1CCN(CC1)CC2CCCC(C2=O)CN3CCCCC3

InChI

InChI=1S/C18H32N2O/c21-18-16(14-19-10-3-1-4-11-19)8-7-9-17(18)15-20-12-5-2-6-13-20/h16-17H,1-15H2

InChIKey

UZXQQNLALYSWNF-UHFFFAOYSA-N

Compound name

2,6-bis(piperidin-1-ylmethyl)cyclohexan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 292.25146 Da
Monoisotopic Mass: 2.8
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]+	293.25874	177.1
[M+Na]+	315.24068	175.8
[M-H]-	291.24418	180.4
[M+NH4]+	310.28528	188.3
[M+K]+	331.21462	171.8
[M+H-H2O]+	275.24872	165.9
[M+HCOO]-	337.24966	185.9
[M+CH3COO]-	351.26531	202.1
[M+Na-2H]-	313.22613	174.4
[M]+	292.25091	164.2
[M]-	292.25201	164.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.