CID 24846943

3-quinuclidyl-2-thienyl(isopropenyl)glycolate

Structural Information

Molecular Formula
C16H21NO3S
SMILES
CC(=C)C1=C(SC=C1)C(C(=O)OC2CN3CCC2CC3)O
InChI
InChI=1S/C16H21NO3S/c1-10(2)12-5-8-21-15(12)14(18)16(19)20-13-9-17-6-3-11(13)4-7-17/h5,8,11,13-14,18H,1,3-4,6-7,9H2,2H3
InChIKey
XNSVDTZPCHJQSE-UHFFFAOYSA-N
Compound name
1-azabicyclo[2.2.2]octan-3-yl 2-hydroxy-2-(3-prop-1-en-2-ylthiophen-2-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.1242 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.13148 164.0
[M+Na]+ 330.11342 171.1
[M+NH4]+ 325.15802 172.8
[M+K]+ 346.08736 166.2
[M-H]- 306.11692 161.4
[M+Na-2H]- 328.09887 160.5
[M]+ 307.12365 164.4
[M]- 307.12475 164.4
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.