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]+ 362.196206 187.5
[M+Na]+ 384.178148 188.7
[M-H]- 360.181654 183.6
[M+NH4]+ 379.222753 201.9
[M+K]+ 400.152088 187.0
[M+H-H2O]+ 344.186190 180.9
[M+HCOO]- 406.187131 191.7
[M+CH3COO]- 420.202781 218.8
[M+Na-2H]- 382.163596 193.3
[M]+ 361.18838142 191.3
[M]- 361.18947858 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.