CID 380380

2-methyl-3-quinuclidinyl cyclopentenyl(1-propynyl)glycolate

Structural Information

Molecular Formula
C18H25NO3
SMILES
CC#CC(C1=CCCC1)(C(=O)OC2C(N3CCC2CC3)C)O
InChI
InChI=1S/C18H25NO3/c1-3-10-18(21,15-6-4-5-7-15)17(20)22-16-13(2)19-11-8-14(16)9-12-19/h6,13-14,16,21H,4-5,7-9,11-12H2,1-2H3
InChIKey
UCTOEHTYBBRGKA-UHFFFAOYSA-N
Compound name
(2-methyl-1-azabicyclo[2.2.2]octan-3-yl) 2-(cyclopenten-1-yl)-2-hydroxypent-3-ynoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.18344 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.19072 176.0
[M+Na]+ 326.17266 183.1
[M+NH4]+ 321.21726 180.6
[M+K]+ 342.14660 175.9
[M-H]- 302.17616 165.5
[M+Na-2H]- 324.15811 169.3
[M]+ 303.18289 173.0
[M]- 303.18399 173.0
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.