CID 380266

101952-37-8

Structural Information

Molecular Formula
C18H27NO3
SMILES
CCC#CC(C1CCCC1)(C(=O)OC2CN3CCC2CC3)O
InChI
InChI=1S/C18H27NO3/c1-2-3-10-18(21,15-6-4-5-7-15)17(20)22-16-13-19-11-8-14(16)9-12-19/h14-16,21H,2,4-9,11-13H2,1H3
InChIKey
CMEALEXDKQTIIP-UHFFFAOYSA-N
Compound name
1-azabicyclo[2.2.2]octan-3-yl 2-cyclopentyl-2-hydroxyhex-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 184.4
[M+NH4]+ 323.23292 183.0
[M+K]+ 344.16226 177.1
[M-H]- 304.19182 167.7
[M+Na-2H]- 326.17377 171.1
[M]+ 305.19855 175.1
[M]- 305.19965 175.1
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.