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]+ 294.20638 171.6
[M+Na]+ 316.18832 171.4
[M-H]- 292.19182 167.0
[M+NH4]+ 311.23292 190.5
[M+K]+ 332.16226 168.2
[M+H-H2O]+ 276.19636 166.3
[M+HCOO]- 338.19730 175.9
[M+CH3COO]- 352.21295 202.3
[M+Na-2H]- 314.17377 176.0
[M]+ 293.19855 169.4
[M]- 293.19965 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.