CID 24837269

102571-08-4

Structural Information

Molecular Formula
C17H23NO3
SMILES
CC#CC(C1=CCCC1)(C(=O)OC2CN3CCC2CC3)O
InChI
InChI=1S/C17H23NO3/c1-2-9-17(20,14-5-3-4-6-14)16(19)21-15-12-18-10-7-13(15)8-11-18/h5,13,15,20H,3-4,6-8,10-12H2,1H3
InChIKey
KJMFZERFLLUDPD-UHFFFAOYSA-N
Compound name
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

289.1678 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.175076 174.1
[M+Na]+ 312.157018 179.6
[M-H]- 288.160524 169.7
[M+NH4]+ 307.201623 191.4
[M+K]+ 328.130958 170.1
[M+H-H2O]+ 272.165060 163.5
[M+HCOO]- 334.166001 176.0
[M+CH3COO]- 348.181651 180.1
[M+Na-2H]- 310.142466 178.1
[M]+ 289.16725142 168.3
[M]- 289.16834858 168.3
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.