CID 3073590

1-(2-phenyl-2-adamantyl)morpholine

Structural Information

Molecular Formula
C20H27NO
SMILES
C1COCCN1C2(C3CC4CC(C3)CC2C4)C5=CC=CC=C5
InChI
InChI=1S/C20H27NO/c1-2-4-17(5-3-1)20(21-6-8-22-9-7-21)18-11-15-10-16(13-18)14-19(20)12-15/h1-5,15-16,18-19H,6-14H2
InChIKey
BRLLXJNSYVCKKB-UHFFFAOYSA-N
Compound name
4-(2-phenyl-2-adamantyl)morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.20926 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.216536 163.8
[M+Na]+ 320.198478 163.1
[M-H]- 296.201984 163.0
[M+NH4]+ 315.243083 182.1
[M+K]+ 336.172418 159.2
[M+H-H2O]+ 280.206520 151.8
[M+HCOO]- 342.207461 165.2
[M+CH3COO]- 356.223111 169.9
[M+Na-2H]- 318.183926 171.8
[M]+ 297.20871142 158.8
[M]- 297.20980858 158.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.