CID 25135943

Saucerneol g

Structural Information

Molecular Formula
C20H20O6
SMILES
CC(CC1=CC2=C(C=C1O)OCO2)C(C)C(=O)C3=CC4=C(C=C3)OCO4
InChI
InChI=1S/C20H20O6/c1-11(5-14-7-18-19(8-15(14)21)26-10-25-18)12(2)20(22)13-3-4-16-17(6-13)24-9-23-16/h3-4,6-8,11-12,21H,5,9-10H2,1-2H3
InChIKey
NZZRRNMWPWPQPA-UHFFFAOYSA-N
Compound name
1-(1,3-benzodioxol-5-yl)-4-(6-hydroxy-1,3-benzodioxol-5-yl)-2,3-dimethylbutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

356.12598 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.13326 184.1
[M+Na]+ 379.11520 190.0
[M-H]- 355.11870 193.8
[M+NH4]+ 374.15980 195.9
[M+K]+ 395.08914 191.7
[M+H-H2O]+ 339.12324 180.0
[M+HCOO]- 401.12418 197.4
[M+CH3COO]- 415.13983 194.7
[M+Na-2H]- 377.10065 184.2
[M]+ 356.12543 189.4
[M]- 356.12653 189.4
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.