CID 380303

101931-80-0

Structural Information

Molecular Formula
C15H19NO3
SMILES
CC#CC(C#CC)(C(=O)OC1CN2CCC1CC2)O
InChI
InChI=1S/C15H19NO3/c1-3-7-15(18,8-4-2)14(17)19-13-11-16-9-5-12(13)6-10-16/h12-13,18H,5-6,9-11H2,1-2H3
InChIKey
PSNXEMLZSUPRKP-UHFFFAOYSA-N
Compound name
1-azabicyclo[2.2.2]octan-3-yl 2-hydroxy-2-prop-1-ynylpent-3-ynoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.1365 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.14378 190.0
[M+Na]+ 284.12572 195.8
[M+NH4]+ 279.17032 190.3
[M+K]+ 300.09966 185.5
[M-H]- 260.12922 175.3
[M+Na-2H]- 282.11117 181.5
[M]+ 261.13595 185.3
[M]- 261.13705 185.3
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.