CID 6175359

3-quinuclidyl phenyl(trans-1-propenyl)glycolate

Structural Information

Molecular Formula
C18H23NO3
SMILES
C/C=C/C(C1=CC=CC=C1)(C(=O)OC2CN3CCC2CC3)O
InChI
InChI=1S/C18H23NO3/c1-2-10-18(21,15-6-4-3-5-7-15)17(20)22-16-13-19-11-8-14(16)9-12-19/h2-7,10,14,16,21H,8-9,11-13H2,1H3/b10-2+
InChIKey
KXULHOPQKUGNIO-WTDSWWLTSA-N
Compound name
1-azabicyclo[2.2.2]octan-3-yl (E)-2-hydroxy-2-phenylpent-3-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.1678 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.17508 167.1
[M+Na]+ 324.15702 176.5
[M+NH4]+ 319.20162 175.7
[M+K]+ 340.13096 170.0
[M-H]- 300.16052 165.1
[M+Na-2H]- 322.14247 166.0
[M]+ 301.16725 167.7
[M]- 301.16835 167.7
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.