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]+ 290.17508 174.1
[M+Na]+ 312.15702 179.6
[M-H]- 288.16052 169.7
[M+NH4]+ 307.20162 191.4
[M+K]+ 328.13096 170.1
[M+H-H2O]+ 272.16506 163.5
[M+HCOO]- 334.16600 176.0
[M+CH3COO]- 348.18165 180.1
[M+Na-2H]- 310.14247 178.1
[M]+ 289.16725 168.3
[M]- 289.16835 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.