CID 98185

3-(morpholinomethyl)-2-norbornanone

Structural Information

Molecular Formula

C₁₂H₁₉NO₂

SMILES

C1CC2CC1C(C2=O)CN3CCOCC3

InChI

InChI=1S/C12H19NO2/c14-12-10-2-1-9(7-10)11(12)8-13-3-5-15-6-4-13/h9-11H,1-8H2

InChIKey

JDICLBMHNUZBSA-UHFFFAOYSA-N

Compound name

3-(morpholin-4-ylmethyl)bicyclo[2.2.1]heptan-2-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 5
References: 0
Patents: 209.14159 Da
Monoisotopic Mass: 0.7
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]+	210.148866	148.3
[M+Na]+	232.130808	153.3
[M-H]-	208.134314	152.5
[M+NH4]+	227.175413	169.3
[M+K]+	248.104748	151.9
[M+H-H2O]+	192.138850	142.4
[M+HCOO]-	254.139791	164.1
[M+CH3COO]-	268.155441	159.9
[M+Na-2H]-	230.116256	149.3
[M]+	209.14104142	144.4
[M]-	209.14213858	144.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.