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]+ 254.17508 156.9
[M+Na]+ 276.15702 157.0
[M-H]- 252.16052 152.6
[M+NH4]+ 271.20162 177.3
[M+K]+ 292.13096 155.0
[M+H-H2O]+ 236.16506 151.3
[M+HCOO]- 298.16600 162.6
[M+CH3COO]- 312.18165 164.4
[M+Na-2H]- 274.14247 160.8
[M]+ 253.16725 154.2
[M]- 253.16835 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.