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]+ 308.22203 169.1
[M+Na]+ 330.20397 174.5
[M+NH4]+ 325.24857 177.1
[M+K]+ 346.17791 172.0
[M-H]- 306.20747 165.5
[M+Na-2H]- 328.18942 163.7
[M]+ 307.21420 168.3
[M]- 307.21530 168.3
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.