CID 3064011

2-methyl-3-quinuclidyl cyclopentyl(isopropenyl)glycolate

Structural Information

Molecular Formula
C18H29NO3
SMILES
CC1C(C2CCN1CC2)OC(=O)C(C3CCCC3)(C(=C)C)O
InChI
InChI=1S/C18H29NO3/c1-12(2)18(21,15-6-4-5-7-15)17(20)22-16-13(3)19-10-8-14(16)9-11-19/h13-16,21H,1,4-11H2,2-3H3
InChIKey
JXVIPUWMFDEJQZ-UHFFFAOYSA-N
Compound name
(2-methyl-1-azabicyclo[2.2.2]octan-3-yl) 2-cyclopentyl-2-hydroxy-3-methylbut-3-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.21475 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.222026 177.1
[M+Na]+ 330.203968 176.8
[M-H]- 306.207474 172.5
[M+NH4]+ 325.248573 195.5
[M+K]+ 346.177908 174.0
[M+H-H2O]+ 290.212010 172.2
[M+HCOO]- 352.212951 179.7
[M+CH3COO]- 366.228601 208.0
[M+Na-2H]- 328.189416 179.2
[M]+ 307.21420142 174.9
[M]- 307.21529858 174.9
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.