CID 58802

101710-95-6

Structural Information

Molecular Formula
C20H27NO5
SMILES
CC(=C)C(C1=CC(=C(C=C1)OC)OC)(C(=O)OC2CN3CCC2CC3)O
InChI
InChI=1S/C20H27NO5/c1-13(2)20(23,15-5-6-16(24-3)17(11-15)25-4)19(22)26-18-12-21-9-7-14(18)8-10-21/h5-6,11,14,18,23H,1,7-10,12H2,2-4H3
InChIKey
BNBJDLBOPYZXIM-UHFFFAOYSA-N
Compound name
1-azabicyclo[2.2.2]octan-3-yl 2-(3,4-dimethoxyphenyl)-2-hydroxy-3-methylbut-3-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

361.18893 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.19621 187.5
[M+Na]+ 384.17815 188.7
[M-H]- 360.18165 183.6
[M+NH4]+ 379.22275 201.9
[M+K]+ 400.15209 187.0
[M+H-H2O]+ 344.18619 180.9
[M+HCOO]- 406.18713 191.7
[M+CH3COO]- 420.20278 218.8
[M+Na-2H]- 382.16360 193.3
[M]+ 361.18838 191.3
[M]- 361.18948 191.3
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.