CID 580075

1-piperidinepropanoic acid, 8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester, dihydrochloride, exo-

Structural Information

Molecular Formula
C16H28N2O2
SMILES
CN1C2CCC1CC(C2)OC(=O)CCN3CCCCC3
InChI
InChI=1S/C16H28N2O2/c1-17-13-5-6-14(17)12-15(11-13)20-16(19)7-10-18-8-3-2-4-9-18/h13-15H,2-12H2,1H3
InChIKey
UKBAYHIDBOWPPK-UHFFFAOYSA-N
Compound name
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-piperidin-1-ylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.2151 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.22238 170.7
[M+Na]+ 303.20432 178.6
[M+NH4]+ 298.24892 178.5
[M+K]+ 319.17826 174.1
[M-H]- 279.20782 171.6
[M+Na-2H]- 301.18977 171.2
[M]+ 280.21455 171.7
[M]- 280.21565 171.7
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.