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

2
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

literature stripe

Patent stripe

patents stripe