CID 6309543

101711-05-1

Structural Information

Molecular Formula
C20H27NO3
SMILES
CC(C)/C=C/C(C1=CC=CC=C1)(C(=O)OC2CN3CCC2CC3)O
InChI
InChI=1S/C20H27NO3/c1-15(2)8-11-20(23,17-6-4-3-5-7-17)19(22)24-18-14-21-12-9-16(18)10-13-21/h3-8,11,15-16,18,23H,9-10,12-14H2,1-2H3/b11-8+
InChIKey
LFEGCLWKAFYJIE-DHZHZOJOSA-N
Compound name
1-azabicyclo[2.2.2]octan-3-yl (E)-2-hydroxy-5-methyl-2-phenylhex-3-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.1991 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.206376 181.4
[M+Na]+ 352.188318 181.5
[M-H]- 328.191824 177.0
[M+NH4]+ 347.232923 196.9
[M+K]+ 368.162258 178.0
[M+H-H2O]+ 312.196360 174.6
[M+HCOO]- 374.197301 185.6
[M+CH3COO]- 388.212951 211.4
[M+Na-2H]- 350.173766 187.9
[M]+ 329.19855142 181.5
[M]- 329.19964858 181.5
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.