CID 3064014

3-quinuclidyl cyclopentylglycolate

Structural Information

Molecular Formula
C14H23NO3
SMILES
C1CCC(C1)C(C(=O)OC2CN3CCC2CC3)O
InChI
InChI=1S/C14H23NO3/c16-13(11-3-1-2-4-11)14(17)18-12-9-15-7-5-10(12)6-8-15/h10-13,16H,1-9H2
InChIKey
UNGLWVWEWUYGCI-UHFFFAOYSA-N
Compound name
1-azabicyclo[2.2.2]octan-3-yl 2-cyclopentyl-2-hydroxyacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.1678 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.175076 156.9
[M+Na]+ 276.157018 157.0
[M-H]- 252.160524 152.6
[M+NH4]+ 271.201623 177.3
[M+K]+ 292.130958 155.0
[M+H-H2O]+ 236.165060 151.3
[M+HCOO]- 298.166001 162.6
[M+CH3COO]- 312.181651 164.4
[M+Na-2H]- 274.142466 160.8
[M]+ 253.16725142 154.2
[M]- 253.16834858 154.2
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.