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 162.6
[M+Na]+ 300.19342 160.9
[M-H]- 276.19692 158.4
[M+NH4]+ 295.23802 181.9
[M+K]+ 316.16736 158.6
[M+H-H2O]+ 260.20146 153.0
[M+HCOO]- 322.20240 162.8
[M+CH3COO]- 336.21805 168.4
[M+Na-2H]- 298.17887 170.0
[M]+ 277.20365 159.2
[M]- 277.20475 159.2
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.