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 177.1
[M+Na]+ 330.20397 176.8
[M-H]- 306.20747 172.5
[M+NH4]+ 325.24857 195.5
[M+K]+ 346.17791 174.0
[M+H-H2O]+ 290.21201 172.2
[M+HCOO]- 352.21295 179.7
[M+CH3COO]- 366.22860 208.0
[M+Na-2H]- 328.18942 179.2
[M]+ 307.21420 174.9
[M]- 307.21530 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.