CID 13371166

3-quinuclidyl cyclohexyl(1-propynyl)glycolate a

Structural Information

Molecular Formula
C18H27NO3
SMILES
CC#CC(C1CCCCC1)(C(=O)OC2CN3CCC2CC3)O
InChI
InChI=1S/C18H27NO3/c1-2-10-18(21,15-6-4-3-5-7-15)17(20)22-16-13-19-11-8-14(16)9-12-19/h14-16,21H,3-9,11-13H2,1H3
InChIKey
GRQZWTJSEZLRER-UHFFFAOYSA-N
Compound name
1-azabicyclo[2.2.2]octan-3-yl 2-cyclohexyl-2-hydroxypent-3-ynoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.1991 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.206376 175.9
[M+Na]+ 328.188318 179.2
[M-H]- 304.191824 170.6
[M+NH4]+ 323.232923 190.7
[M+K]+ 344.162258 169.9
[M+H-H2O]+ 288.196360 164.6
[M+HCOO]- 350.197301 174.3
[M+CH3COO]- 364.212951 180.4
[M+Na-2H]- 326.173766 180.4
[M]+ 305.19855142 167.2
[M]- 305.19964858 167.2
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.