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

2
Annotation Hits: 3
References: 322
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	148.6
[M+Na]+	218.15153	159.1
[M+NH4]+	213.19613	157.6
[M+K]+	234.12547	151.8
[M-H]-	194.15503	152.1
[M+Na-2H]-	216.13698	154.0
[M]+	195.16176	150.8
[M]-	195.16286	150.8

Literature stripe

literature stripe

Patent stripe

patents stripe