CID 6175359

101711-16-4

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]+ 302.175076 172.1
[M+Na]+ 324.157018 173.4
[M-H]- 300.160524 168.1
[M+NH4]+ 319.201623 188.9
[M+K]+ 340.130958 169.8
[M+H-H2O]+ 284.165060 165.3
[M+HCOO]- 346.166001 178.0
[M+CH3COO]- 360.181651 204.7
[M+Na-2H]- 322.142466 180.7
[M]+ 301.16725142 172.1
[M]- 301.16834858 172.1
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.