CID 73753502

Akos040752251

Structural Information

Molecular Formula
C21H36O10
SMILES
CC(=CCC(COC1C(C(C(C(O1)COC2C(C(C(CO2)O)O)O)O)O)O)C(=C)C)C
InChI
InChI=1S/C21H36O10/c1-10(2)5-6-12(11(3)4)7-28-21-19(27)17(25)16(24)14(31-21)9-30-20-18(26)15(23)13(22)8-29-20/h5,12-27H,3,6-9H2,1-2,4H3
InChIKey
XOSSHORSTHFGFX-UHFFFAOYSA-N
Compound name
2-(5-methyl-2-prop-1-en-2-ylhex-4-enoxy)-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

448.23083 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 449.23811 207.2
[M+Na]+ 471.22005 206.9
[M-H]- 447.22355 205.6
[M+NH4]+ 466.26465 209.4
[M+K]+ 487.19399 207.5
[M+H-H2O]+ 431.22809 200.4
[M+HCOO]- 493.22903 208.7
[M+CH3COO]- 507.24468 225.8
[M+Na-2H]- 469.20550 198.3
[M]+ 448.23028 205.1
[M]- 448.23138 205.1
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.