CID 58782

2-ethyl-3-quinuclidyl alpha-cyclopentyl-alpha-phenylglycolate

Structural Information

Molecular Formula
C22H31NO3
SMILES
CCC1C(C2CCN1CC2)OC(=O)C(C3CCCC3)(C4=CC=CC=C4)O
InChI
InChI=1S/C22H31NO3/c1-2-19-20(16-12-14-23(19)15-13-16)26-21(24)22(25,18-10-6-7-11-18)17-8-4-3-5-9-17/h3-5,8-9,16,18-20,25H,2,6-7,10-15H2,1H3
InChIKey
LQUMWUWRYAYFRB-UHFFFAOYSA-N
Compound name
(2-ethyl-1-azabicyclo[2.2.2]octan-3-yl) 2-cyclopentyl-2-hydroxy-2-phenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.2304 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.23768 181.2
[M+Na]+ 380.21962 189.1
[M+NH4]+ 375.26422 190.2
[M+K]+ 396.19356 184.6
[M-H]- 356.22312 180.9
[M+Na-2H]- 378.20507 179.4
[M]+ 357.22985 182.0
[M]- 357.23095 182.0
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.