CID 3070934

87168-52-3

Structural Information

Molecular Formula
C17H30N2O3
SMILES
CN1C2CCC1CC(C2)OC(=O)CCCCN3CCOCC3
InChI
InChI=1S/C17H30N2O3/c1-18-14-5-6-15(18)13-16(12-14)22-17(20)4-2-3-7-19-8-10-21-11-9-19/h14-16H,2-13H2,1H3
InChIKey
OCVCGKMJQGEFLX-UHFFFAOYSA-N
Compound name
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 5-morpholin-4-ylpentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.22565 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.23293 177.9
[M+Na]+ 333.21487 179.2
[M-H]- 309.21837 179.2
[M+NH4]+ 328.25947 191.2
[M+K]+ 349.18881 177.6
[M+H-H2O]+ 293.22291 169.0
[M+HCOO]- 355.22385 187.5
[M+CH3COO]- 369.23950 205.5
[M+Na-2H]- 331.20032 176.5
[M]+ 310.22510 174.5
[M]- 310.22620 174.5
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.