CID 64657

4-morpholinepropanoic acid, 8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester, dihydrochloride, exo-

Structural Information

Molecular Formula
C15H26N2O3
SMILES
CN1C2CCC1CC(C2)OC(=O)CCN3CCOCC3
InChI
InChI=1S/C15H26N2O3/c1-16-12-2-3-13(16)11-14(10-12)20-15(18)4-5-17-6-8-19-9-7-17/h12-14H,2-11H2,1H3
InChIKey
JBICFMQWCKPGRR-UHFFFAOYSA-N
Compound name
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-morpholin-4-ylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

16
Patents

282.19434 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.20162 168.8
[M+Na]+ 305.18356 171.1
[M-H]- 281.18706 170.6
[M+NH4]+ 300.22816 183.4
[M+K]+ 321.15750 170.0
[M+H-H2O]+ 265.19160 160.4
[M+HCOO]- 327.19254 179.2
[M+CH3COO]- 341.20819 199.5
[M+Na-2H]- 303.16901 168.5
[M]+ 282.19379 164.9
[M]- 282.19489 164.9
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

patents stripe