CID 512339

3-(2-adamantyl)-4-methyl-morpholine

Structural Information

Molecular Formula

C₁₅H₂₅NO

SMILES

CN1CCOCC1C2C3CC4CC(C3)CC2C4

InChI

InChI=1S/C15H25NO/c1-16-2-3-17-9-14(16)15-12-5-10-4-11(7-12)8-13(15)6-10/h10-15H,2-9H2,1H3

InChIKey

BMOAYZWCIMIELB-UHFFFAOYSA-N

Compound name

3-(2-adamantyl)-4-methylmorpholine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 235.19362 Da
Monoisotopic Mass: 3.3
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]+	236.20090	152.1
[M+Na]+	258.18284	152.1
[M-H]-	234.18634	148.9
[M+NH4]+	253.22744	172.0
[M+K]+	274.15678	149.8
[M+H-H2O]+	218.19088	143.6
[M+HCOO]-	280.19182	153.8
[M+CH3COO]-	294.20747	159.3
[M+Na-2H]-	256.16829	159.4
[M]+	235.19307	148.4
[M]-	235.19417	148.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.