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]+ 314.17508 169.6
[M+Na]+ 336.15702 179.3
[M+NH4]+ 331.20162 177.9
[M+K]+ 352.13096 173.2
[M-H]- 312.16052 167.6
[M+Na-2H]- 334.14247 168.8
[M]+ 313.16725 170.3
[M]- 313.16835 170.3
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.