CID 58159

3-quinuclidyl cyclobutyl(1-propynyl)glycolate a

Structural Information

Molecular Formula
C16H23NO3
SMILES
CC#CC(C1CCC1)(C(=O)OC2CN3CCC2CC3)O
InChI
InChI=1S/C16H23NO3/c1-2-8-16(19,13-4-3-5-13)15(18)20-14-11-17-9-6-12(14)7-10-17/h12-14,19H,3-7,9-11H2,1H3
InChIKey
LXIZPACCRLUEJK-UHFFFAOYSA-N
Compound name
1-azabicyclo[2.2.2]octan-3-yl 2-cyclobutyl-2-hydroxypent-3-ynoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.1678 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.17508 172.5
[M+Na]+ 300.15702 176.0
[M-H]- 276.16052 168.4
[M+NH4]+ 295.20162 183.0
[M+K]+ 316.13096 172.6
[M+H-H2O]+ 260.16506 157.7
[M+HCOO]- 322.16600 172.9
[M+CH3COO]- 336.18165 209.0
[M+Na-2H]- 298.14247 177.4
[M]+ 277.16725 174.3
[M]- 277.16835 174.3
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.