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]+ 308.22203 176.7
[M+Na]+ 330.20397 177.4
[M-H]- 306.20747 172.2
[M+NH4]+ 325.24857 197.1
[M+K]+ 346.17791 173.8
[M+H-H2O]+ 290.21201 170.9
[M+HCOO]- 352.21295 180.9
[M+CH3COO]- 366.22860 206.5
[M+Na-2H]- 328.18942 178.6
[M]+ 307.21420 175.0
[M]- 307.21530 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.