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 170.2
[M+Na]+ 330.11342 172.2
[M-H]- 306.11692 166.5
[M+NH4]+ 325.15802 189.4
[M+K]+ 346.08736 169.9
[M+H-H2O]+ 290.12146 166.1
[M+HCOO]- 352.12240 172.5
[M+CH3COO]- 366.13805 177.7
[M+Na-2H]- 328.09887 172.3
[M]+ 307.12365 173.4
[M]- 307.12475 173.4
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.