CID 58821

101711-11-9

Structural Information

Molecular Formula
C20H25NO3
SMILES
CCCC#CC(C1=CC=CC=C1)(C(=O)OC2CN3CCC2CC3)O
InChI
InChI=1S/C20H25NO3/c1-2-3-7-12-20(23,17-8-5-4-6-9-17)19(22)24-18-15-21-13-10-16(18)11-14-21/h4-6,8-9,16,18,23H,2-3,10-11,13-15H2,1H3
InChIKey
YNSMYWAXUANYJM-UHFFFAOYSA-N
Compound name
1-azabicyclo[2.2.2]octan-3-yl 2-hydroxy-2-phenylhept-3-ynoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.18344 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.19072 185.1
[M+Na]+ 350.17266 194.1
[M+NH4]+ 345.21726 189.7
[M+K]+ 366.14660 183.8
[M-H]- 326.17616 175.6
[M+Na-2H]- 348.15811 180.4
[M]+ 327.18289 182.8
[M]- 327.18399 182.8
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.