CID 56552

93101-74-7

Structural Information

Molecular Formula
C21H25NO3
SMILES
C1CC=C(C1)C(C2=CC=CC=C2)(C(=O)OCC3=CN4CCC3CC4)O
InChI
InChI=1S/C21H25NO3/c23-20(25-15-17-14-22-12-10-16(17)11-13-22)21(24,19-8-4-5-9-19)18-6-2-1-3-7-18/h1-3,6-8,14,16,24H,4-5,9-13,15H2
InChIKey
GURMBSRAXNTMAC-UHFFFAOYSA-N
Compound name
1-azabicyclo[2.2.2]oct-2-en-3-ylmethyl 2-(cyclopenten-1-yl)-2-hydroxy-2-phenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.18344 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.19072 177.7
[M+Na]+ 362.17266 178.4
[M-H]- 338.17616 177.1
[M+NH4]+ 357.21726 194.3
[M+K]+ 378.14660 174.4
[M+H-H2O]+ 322.18070 170.4
[M+HCOO]- 384.18164 184.8
[M+CH3COO]- 398.19729 184.6
[M+Na-2H]- 360.15811 184.3
[M]+ 339.18289 177.8
[M]- 339.18399 177.8
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.