CID 380277

Nsc665756

Structural Information

Molecular Formula
C19H29NO3
SMILES
CCCC#CC(C1CCCC1)(C(=O)OC2CN3CCC2CC3)O
InChI
InChI=1S/C19H29NO3/c1-2-3-6-11-19(22,16-7-4-5-8-16)18(21)23-17-14-20-12-9-15(17)10-13-20/h15-17,22H,2-5,7-10,12-14H2,1H3
InChIKey
XDXCEWNBVOZWDO-UHFFFAOYSA-N
Compound name
1-azabicyclo[2.2.2]octan-3-yl 2-cyclopentyl-2-hydroxyhept-3-ynoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.21475 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.22203 182.0
[M+Na]+ 342.20397 185.9
[M-H]- 318.20747 176.9
[M+NH4]+ 337.24857 198.2
[M+K]+ 358.17791 176.1
[M+H-H2O]+ 302.21201 171.2
[M+HCOO]- 364.21295 182.0
[M+CH3COO]- 378.22860 212.1
[M+Na-2H]- 340.18942 184.3
[M]+ 319.21420 175.4
[M]- 319.21530 175.4
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.