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 172.1
[M+Na]+ 324.15702 173.4
[M-H]- 300.16052 168.1
[M+NH4]+ 319.20162 188.9
[M+K]+ 340.13096 169.8
[M+H-H2O]+ 284.16506 165.3
[M+HCOO]- 346.16600 178.0
[M+CH3COO]- 360.18165 204.7
[M+Na-2H]- 322.14247 180.7
[M]+ 301.16725 172.1
[M]- 301.16835 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.