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 176.3
[M+Na]+ 316.18832 183.1
[M+NH4]+ 311.23292 180.2
[M+K]+ 332.16226 174.0
[M-H]- 292.19182 164.3
[M+Na-2H]- 314.17377 168.8
[M]+ 293.19855 172.8
[M]- 293.19965 172.8
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.