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]+ 306.20638 175.9
[M+Na]+ 328.18832 179.2
[M-H]- 304.19182 170.6
[M+NH4]+ 323.23292 190.7
[M+K]+ 344.16226 169.9
[M+H-H2O]+ 288.19636 164.6
[M+HCOO]- 350.19730 174.3
[M+CH3COO]- 364.21295 180.4
[M+Na-2H]- 326.17377 180.4
[M]+ 305.19855 167.2
[M]- 305.19965 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.