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]+ 306.20638 178.5
[M+Na]+ 328.18832 183.5
[M-H]- 304.19182 173.9
[M+NH4]+ 323.23292 195.4
[M+K]+ 344.16226 174.1
[M+H-H2O]+ 288.19636 168.2
[M+HCOO]- 350.19730 178.8
[M+CH3COO]- 364.21295 211.1
[M+Na-2H]- 326.17377 180.8
[M]+ 305.19855 172.1
[M]- 305.19965 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.