CID 59088

3-quinuclidyl-n-amyl(1-propynyl)glycolate b

Structural Information

Molecular Formula
C17H27NO3
SMILES
CCCCCC(C#CC)(C(=O)OC1CN2CCC1CC2)O
InChI
InChI=1S/C17H27NO3/c1-3-5-6-10-17(20,9-4-2)16(19)21-15-13-18-11-7-14(15)8-12-18/h14-15,20H,3,5-8,10-13H2,1-2H3
InChIKey
JNANCULASNWOHH-UHFFFAOYSA-N
Compound name
1-azabicyclo[2.2.2]octan-3-yl 2-hydroxy-2-prop-1-ynylheptanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.1991 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.206376 177.5
[M+Na]+ 316.188318 182.3
[M-H]- 292.191824 170.4
[M+NH4]+ 311.232923 193.5
[M+K]+ 332.162258 174.5
[M+H-H2O]+ 276.196360 167.2
[M+HCOO]- 338.197301 178.7
[M+CH3COO]- 352.212951 210.5
[M+Na-2H]- 314.173766 182.9
[M]+ 293.19855142 174.6
[M]- 293.19964858 174.6
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.