CID 58817

Nsc665760

Structural Information

Molecular Formula
C20H23NO3
SMILES
CC(=C)C#CC(C1=CC=CC=C1)(C(=O)OC2CN3CCC2CC3)O
InChI
InChI=1S/C20H23NO3/c1-15(2)8-11-20(23,17-6-4-3-5-7-17)19(22)24-18-14-21-12-9-16(18)10-13-21/h3-7,16,18,23H,1,9-10,12-14H2,2H3
InChIKey
GBTXSVZHHMYRNF-UHFFFAOYSA-N
Compound name
1-azabicyclo[2.2.2]octan-3-yl 2-hydroxy-5-methyl-2-phenylhex-5-en-3-ynoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.1678 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.17508 183.7
[M+Na]+ 348.15702 192.3
[M+NH4]+ 343.20162 187.9
[M+K]+ 364.13096 182.7
[M-H]- 324.16052 173.7
[M+Na-2H]- 346.14247 178.7
[M]+ 325.16725 181.1
[M]- 325.16835 181.1
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.