CID 127871

Veranisatin b

Structural Information

Molecular Formula
C16H20O9
SMILES
CC1CCC2(C13CC(C(C24COC4=O)(C(=O)OC)O)OC(=O)C3O)O
InChI
InChI=1S/C16H20O9/c1-7-3-4-15(21)13(7)5-8(25-10(18)9(13)17)16(22,12(20)23-2)14(15)6-24-11(14)19/h7-9,17,21-22H,3-6H2,1-2H3
InChIKey
BPDHZCGFGOWILW-UHFFFAOYSA-N
Compound name
methyl 5,7,11-trihydroxy-2-methyl-2',10-dioxospiro[9-oxatricyclo[6.3.1.01,5]dodecane-6,3'-oxetane]-7-carboxylate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

0
Patents

356.11072 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.11800 172.1
[M+Na]+ 379.09994 177.7
[M-H]- 355.10344 175.7
[M+NH4]+ 374.14454 185.7
[M+K]+ 395.07388 181.1
[M+H-H2O]+ 339.10798 166.7
[M+HCOO]- 401.10892 178.1
[M+CH3COO]- 415.12457 209.5
[M+Na-2H]- 377.08539 177.9
[M]+ 356.11017 182.8
[M]- 356.11127 182.8
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.