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]+ 297.21728 168.4
[M+Na]+ 319.19922 170.2
[M-H]- 295.20272 166.6
[M+NH4]+ 314.24382 187.2
[M+K]+ 335.17316 170.3
[M+H-H2O]+ 279.20726 160.4
[M+HCOO]- 341.20820 172.5
[M+CH3COO]- 355.22385 175.9
[M+Na-2H]- 317.18467 177.3
[M]+ 296.20945 168.0
[M]- 296.21055 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.