CID 197861

Pimeclone

Structural Information

Molecular Formula

C₁₂H₂₁NO

SMILES

C1CCN(CC1)CC2CCCCC2=O

InChI

InChI=1S/C12H21NO/c14-12-7-3-2-6-11(12)10-13-8-4-1-5-9-13/h11H,1-10H2

InChIKey

PRFPQYGTPKDLHJ-UHFFFAOYSA-N

Compound name

2-(piperidin-1-ylmethyl)cyclohexan-1-one

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 7415
References: 329
Patents: 195.16231 Da
Monoisotopic Mass: 1.9
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]+	196.16959	147.5
[M+Na]+	218.15153	149.8
[M-H]-	194.15503	150.8
[M+NH4]+	213.19613	164.7
[M+K]+	234.12547	147.6
[M+H-H2O]+	178.15957	139.5
[M+HCOO]-	240.16051	162.9
[M+CH3COO]-	254.17616	183.1
[M+Na-2H]-	216.13698	149.7
[M]+	195.16176	138.8
[M]-	195.16286	138.8

Literature stripe

literature stripe

Patent stripe

patents stripe