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 174.9
[M+Na]+ 284.12572 183.4
[M-H]- 260.12922 171.5
[M+NH4]+ 279.17032 187.7
[M+K]+ 300.09966 172.8
[M+H-H2O]+ 244.13376 163.0
[M+HCOO]- 306.13470 173.7
[M+CH3COO]- 320.15035 218.2
[M+Na-2H]- 282.11117 177.8
[M]+ 261.13595 167.6
[M]- 261.13705 167.6
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.