CID 44148841

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

Structural Information

Molecular Formula
C18H29NO3
SMILES
C/C=C\C1(CCCC1)C(C(=O)OC2C(N3CCC2CC3)C)O
InChI
InChI=1S/C18H29NO3/c1-3-8-18(9-4-5-10-18)16(20)17(21)22-15-13(2)19-11-6-14(15)7-12-19/h3,8,13-16,20H,4-7,9-12H2,1-2H3/b8-3-
InChIKey
PXOOJGVGBMHLIB-BAQGIRSFSA-N
Compound name
(2-methyl-1-azabicyclo[2.2.2]octan-3-yl) 2-hydroxy-2-[1-[(Z)-prop-1-enyl]cyclopentyl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.21475 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.222026 176.7
[M+Na]+ 330.203968 177.4
[M-H]- 306.207474 172.2
[M+NH4]+ 325.248573 197.1
[M+K]+ 346.177908 173.8
[M+H-H2O]+ 290.212010 170.9
[M+HCOO]- 352.212951 180.9
[M+CH3COO]- 366.228601 206.5
[M+Na-2H]- 328.189416 178.6
[M]+ 307.21420142 175.0
[M]- 307.21529858 175.0
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.