CID 580075

87168-46-5

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]+ 281.222376 171.0
[M+Na]+ 303.204318 172.8
[M-H]- 279.207824 172.0
[M+NH4]+ 298.248923 187.0
[M+K]+ 319.178258 170.0
[M+H-H2O]+ 263.212360 162.3
[M+HCOO]- 325.213301 181.7
[M+CH3COO]- 339.228951 200.3
[M+Na-2H]- 301.189766 169.4
[M]+ 280.21455142 165.3
[M]- 280.21564858 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.