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 171.0
[M+Na]+ 303.20432 172.8
[M-H]- 279.20782 172.0
[M+NH4]+ 298.24892 187.0
[M+K]+ 319.17826 170.0
[M+H-H2O]+ 263.21236 162.3
[M+HCOO]- 325.21330 181.7
[M+CH3COO]- 339.22895 200.3
[M+Na-2H]- 301.18977 169.4
[M]+ 280.21455 165.3
[M]- 280.21565 165.3
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.