CID 158548

151702-60-2

Structural Information

Molecular Formula
C20H26O7
SMILES
C1CC2CCCC3C2C(C1)OC4(O3)C5C(O5)C(=O)C67C4(O6)C(CCC7O)O
InChI
InChI=1S/C20H26O7/c21-12-7-8-13(22)19-18(12,27-19)16(23)15-17(24-15)20(19)25-10-5-1-3-9-4-2-6-11(26-20)14(9)10/h9-15,17,21-22H,1-8H2
InChIKey
MVEULHYPNLBION-UHFFFAOYSA-N
Compound name
8',11'-dihydroxyspiro[2,4-dioxatricyclo[7.3.1.05,13]tridecane-3,6'-4,12-dioxatetracyclo[5.4.1.01,7.03,5]dodecane]-2'-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

378.16785 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.17513 184.9
[M+Na]+ 401.15707 190.1
[M-H]- 377.16057 192.5
[M+NH4]+ 396.20167 189.0
[M+K]+ 417.13101 195.7
[M+H-H2O]+ 361.16511 177.6
[M+HCOO]- 423.16605 179.3
[M+CH3COO]- 437.18170 190.2
[M+Na-2H]- 399.14252 188.8
[M]+ 378.16730 187.0
[M]- 378.16840 187.0
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.