CID 44149969

Cyclopentaneglycolic acid, alpha-(3-methyl-1-butenyl)-, 2-methyl-3-quinuclidinyl ester, (z)-

Structural Information

Molecular Formula
C20H33NO3
SMILES
CC1C(C2CCN1CC2)OC(=O)C(/C=C\C(C)C)(C3CCCC3)O
InChI
InChI=1S/C20H33NO3/c1-14(2)8-11-20(23,17-6-4-5-7-17)19(22)24-18-15(3)21-12-9-16(18)10-13-21/h8,11,14-18,23H,4-7,9-10,12-13H2,1-3H3/b11-8-
InChIKey
JSRXQRPRQDRKGB-FLIBITNWSA-N
Compound name
(2-methyl-1-azabicyclo[2.2.2]octan-3-yl) (Z)-2-cyclopentyl-2-hydroxy-5-methylhex-3-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.24603 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.253306 186.4
[M+Na]+ 358.235248 185.4
[M-H]- 334.238754 181.5
[M+NH4]+ 353.279853 203.8
[M+K]+ 374.209188 182.1
[M+H-H2O]+ 318.243290 181.2
[M+HCOO]- 380.244231 188.4
[M+CH3COO]- 394.259881 213.1
[M+Na-2H]- 356.220696 187.5
[M]+ 335.24548142 184.8
[M]- 335.24657858 184.8
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.