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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	268.190716	160.0
[M+Na]+	290.172658	158.5
[M-H]-	266.176164	154.9
[M+NH4]+	285.217263	177.7
[M+K]+	306.146598	156.5
[M+H-H2O]+	250.180700	153.2
[M+HCOO]-	312.181641	163.0
[M+CH3COO]-	326.197291	166.2
[M+Na-2H]-	288.158106	165.2
[M]+	267.18289142	155.3
[M]-	267.18398858	155.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.