CID 380287

2-methyl-3-quinuclidyl cyclopentyl(1-propynyl)glycolate

Structural Information

Molecular Formula
C18H27NO3
SMILES
CC#CC(C1CCCC1)(C(=O)OC2C(N3CCC2CC3)C)O
InChI
InChI=1S/C18H27NO3/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/h13-16,21H,4-9,11-12H2,1-2H3
InChIKey
DKJTWISIFXBISM-UHFFFAOYSA-N
Compound name
(2-methyl-1-azabicyclo[2.2.2]octan-3-yl) 2-cyclopentyl-2-hydroxypent-3-ynoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.1991 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.206376 178.5
[M+Na]+ 328.188318 183.5
[M-H]- 304.191824 173.9
[M+NH4]+ 323.232923 195.4
[M+K]+ 344.162258 174.1
[M+H-H2O]+ 288.196360 168.2
[M+HCOO]- 350.197301 178.8
[M+CH3COO]- 364.212951 211.1
[M+Na-2H]- 326.173766 180.8
[M]+ 305.19855142 172.1
[M]- 305.19964858 172.1
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.