CID 56553

93101-75-8

Structural Information

Molecular Formula
C19H23NO3
SMILES
CC(=C)C(C1=CC=CC=C1)(C(=O)OCC2=CN3CCC2CC3)O
InChI
InChI=1S/C19H23NO3/c1-14(2)19(22,17-6-4-3-5-7-17)18(21)23-13-16-12-20-10-8-15(16)9-11-20/h3-7,12,15,22H,1,8-11,13H2,2H3
InChIKey
WPXKBKPTHANSNP-UHFFFAOYSA-N
Compound name
1-azabicyclo[2.2.2]oct-2-en-3-ylmethyl 2-hydroxy-3-methyl-2-phenylbut-3-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.1678 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.175076 176.0
[M+Na]+ 336.157018 177.4
[M-H]- 312.160524 172.2
[M+NH4]+ 331.201623 192.2
[M+K]+ 352.130958 174.0
[M+H-H2O]+ 296.165060 169.3
[M+HCOO]- 358.166001 182.0
[M+CH3COO]- 372.181651 208.8
[M+Na-2H]- 334.142466 184.0
[M]+ 313.16725142 177.3
[M]- 313.16834858 177.3
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.