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]+ 294.20638 177.5
[M+Na]+ 316.18832 182.3
[M-H]- 292.19182 170.4
[M+NH4]+ 311.23292 193.5
[M+K]+ 332.16226 174.5
[M+H-H2O]+ 276.19636 167.2
[M+HCOO]- 338.19730 178.7
[M+CH3COO]- 352.21295 210.5
[M+Na-2H]- 314.17377 182.9
[M]+ 293.19855 174.6
[M]- 293.19965 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.