CID 23271906

Megxp0_001235

Structural Information

Molecular Formula
C19H26O6
SMILES
CC(=C)C(=O)OC1CC(CCC/C(=C/C2C1C(=C)C(=O)O2)/CO)CO
InChI
InChI=1S/C19H26O6/c1-11(2)18(22)24-15-7-13(9-20)5-4-6-14(10-21)8-16-17(15)12(3)19(23)25-16/h8,13,15-17,20-21H,1,3-7,9-10H2,2H3/b14-8-
InChIKey
RJHSXEZOOUJAQE-ZSOIEALJSA-N
Compound name
[(10Z)-6,10-bis(hydroxymethyl)-3-methylidene-2-oxo-3a,4,5,6,7,8,9,11a-octahydrocyclodeca[b]furan-4-yl] 2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

350.17294 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.180216 179.4
[M+Na]+ 373.162158 184.0
[M-H]- 349.165664 178.7
[M+NH4]+ 368.206763 190.3
[M+K]+ 389.136098 182.2
[M+H-H2O]+ 333.170200 178.1
[M+HCOO]- 395.171141 191.0
[M+CH3COO]- 409.186791 206.3
[M+Na-2H]- 371.147606 174.3
[M]+ 350.17239142 175.7
[M]- 350.17348858 175.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.