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]+ 298.21654 163.8
[M+Na]+ 320.19848 163.1
[M-H]- 296.20198 163.0
[M+NH4]+ 315.24308 182.1
[M+K]+ 336.17242 159.2
[M+H-H2O]+ 280.20652 151.8
[M+HCOO]- 342.20746 165.2
[M+CH3COO]- 356.22311 169.9
[M+Na-2H]- 318.18393 171.8
[M]+ 297.20871 158.8
[M]- 297.20981 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.