CID 580038

Exo-8-methyl-8-azabicyclo(3.2.1)oct-3-yl-1-pyrrolidinepropanoate dihydrochloride hydrate

Structural Information

Molecular Formula
C15H26N2O2
SMILES
CN1C2CCC1CC(C2)OC(=O)CCN3CCCC3
InChI
InChI=1S/C15H26N2O2/c1-16-12-4-5-13(16)11-14(10-12)19-15(18)6-9-17-7-2-3-8-17/h12-14H,2-11H2,1H3
InChIKey
BWPRWNIQEYRCRX-UHFFFAOYSA-N
Compound name
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-pyrrolidin-1-ylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

0
Patents

266.19943 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.20671 167.7
[M+Na]+ 289.18865 170.8
[M-H]- 265.19215 169.5
[M+NH4]+ 284.23325 186.2
[M+K]+ 305.16259 168.4
[M+H-H2O]+ 249.19669 160.0
[M+HCOO]- 311.19763 181.1
[M+CH3COO]- 325.21328 197.1
[M+Na-2H]- 287.17410 164.9
[M]+ 266.19888 164.0
[M]- 266.19998 164.0
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.