CID 3063736

Cyclohexaneglycolic acid, 3-quinuclidinyl ester

Structural Information

Molecular Formula
C15H25NO3
SMILES
C1CCC(CC1)C(C(=O)OC2CN3CCC2CC3)O
InChI
InChI=1S/C15H25NO3/c17-14(12-4-2-1-3-5-12)15(18)19-13-10-16-8-6-11(13)7-9-16/h11-14,17H,1-10H2
InChIKey
VMLSFDLKRZNUEO-UHFFFAOYSA-N
Compound name
1-azabicyclo[2.2.2]octan-3-yl 2-cyclohexyl-2-hydroxyacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.18344 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.19072 160.0
[M+Na]+ 290.17266 158.5
[M-H]- 266.17616 154.9
[M+NH4]+ 285.21726 177.7
[M+K]+ 306.14660 156.5
[M+H-H2O]+ 250.18070 153.2
[M+HCOO]- 312.18164 163.0
[M+CH3COO]- 326.19729 166.2
[M+Na-2H]- 288.15811 165.2
[M]+ 267.18289 155.3
[M]- 267.18399 155.3
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.