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 173.0
[M+Na]+ 320.19848 185.0
[M+NH4]+ 315.24308 186.7
[M+K]+ 336.17242 173.4
[M-H]- 296.20198 177.0
[M+Na-2H]- 318.18393 173.0
[M]+ 297.20871 176.1
[M]- 297.20981 176.1
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.