CID 5912531

101932-09-6

Structural Information

Molecular Formula
C17H27NO3
SMILES
C/C=C/C(C1CCCC1)(C(=O)OC2CN3CCC2CC3)O
InChI
InChI=1S/C17H27NO3/c1-2-9-17(20,14-5-3-4-6-14)16(19)21-15-12-18-10-7-13(15)8-11-18/h2,9,13-15,20H,3-8,10-12H2,1H3/b9-2+
InChIKey
KFIKGORTYFCONO-XNWCZRBMSA-N
Compound name
1-azabicyclo[2.2.2]octan-3-yl (E)-2-cyclopentyl-2-hydroxypent-3-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.1991 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.206376 171.6
[M+Na]+ 316.188318 171.4
[M-H]- 292.191824 167.0
[M+NH4]+ 311.232923 190.5
[M+K]+ 332.162258 168.2
[M+H-H2O]+ 276.196360 166.3
[M+HCOO]- 338.197301 175.9
[M+CH3COO]- 352.212951 202.3
[M+Na-2H]- 314.173766 176.0
[M]+ 293.19855142 169.4
[M]- 293.19964858 169.4
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.