CID 24840240

Brn 1002278

Structural Information

Molecular Formula
C16H28N2O3
SMILES
CC1(C2CCC(O1)(C(C2)NCC(=O)N3CCOCC3)C)C
InChI
InChI=1S/C16H28N2O3/c1-15(2)12-4-5-16(3,21-15)13(10-12)17-11-14(19)18-6-8-20-9-7-18/h12-13,17H,4-11H2,1-3H3
InChIKey
BIBAVLMPCZTEKS-UHFFFAOYSA-N
Compound name
1-morpholin-4-yl-2-[(1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6-yl)amino]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.21 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.217276 168.4
[M+Na]+ 319.199218 170.2
[M-H]- 295.202724 166.6
[M+NH4]+ 314.243823 187.2
[M+K]+ 335.173158 170.3
[M+H-H2O]+ 279.207260 160.4
[M+HCOO]- 341.208201 172.5
[M+CH3COO]- 355.223851 175.9
[M+Na-2H]- 317.184666 177.3
[M]+ 296.20945142 168.0
[M]- 296.21054858 168.0
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.