CID 64177

1-propanone, 1-(1-adamantyl)-3-morpholino-, hydrochloride

Structural Information

Molecular Formula
C17H27NO2
SMILES
C1COCCN1CCC(=O)C23CC4CC(C2)CC(C4)C3
InChI
InChI=1S/C17H27NO2/c19-16(1-2-18-3-5-20-6-4-18)17-10-13-7-14(11-17)9-15(8-13)12-17/h13-15H,1-12H2
InChIKey
QRBQWFHBSLSHQW-UHFFFAOYSA-N
Compound name
1-(1-adamantyl)-3-morpholin-4-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.2042 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.21148 169.0
[M+Na]+ 300.19342 177.4
[M+NH4]+ 295.23802 181.1
[M+K]+ 316.16736 167.9
[M-H]- 276.19692 169.3
[M+Na-2H]- 298.17887 165.2
[M]+ 277.20365 170.3
[M]- 277.20475 170.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.