CID 256830

3-(piperidinomethyl)-2-norbornanone

Structural Information

Molecular Formula

C₁₃H₂₁NO

SMILES

C1CCN(CC1)CC2C3CCC(C3)C2=O

InChI

InChI=1S/C13H21NO/c15-13-11-5-4-10(8-11)12(13)9-14-6-2-1-3-7-14/h10-12H,1-9H2

InChIKey

OEAONVDZGJMUKW-UHFFFAOYSA-N

Compound name

3-(piperidin-1-ylmethyl)bicyclo[2.2.1]heptan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 207.16231 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]+	208.169586	151.1
[M+Na]+	230.151528	155.6
[M-H]-	206.155034	154.6
[M+NH4]+	225.196133	173.5
[M+K]+	246.125468	152.6
[M+H-H2O]+	190.159570	144.7
[M+HCOO]-	252.160511	167.3
[M+CH3COO]-	266.176161	162.3
[M+Na-2H]-	228.136976	150.6
[M]+	207.16176142	145.4
[M]-	207.16285858	145.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe