CID 10499386

Lansiumarin b

Structural Information

Molecular Formula
C21H22O6
SMILES
C/C(=C\COC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2)/C/C=C/C(C)(C)OO
InChI
InChI=1S/C21H22O6/c1-14(5-4-10-21(2,3)27-23)8-11-25-20-18-16(9-12-24-18)13-15-6-7-17(22)26-19(15)20/h4,6-10,12-13,23H,5,11H2,1-3H3/b10-4+,14-8+
InChIKey
NNZMYFZCHMIZMN-OVXNXNIRSA-N
Compound name
9-[(2E,5E)-7-hydroperoxy-3,7-dimethylocta-2,5-dienoxy]furo[3,2-g]chromen-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.14163 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.14891 185.0
[M+Na]+ 393.13085 197.2
[M+NH4]+ 388.17545 190.4
[M+K]+ 409.10479 193.9
[M-H]- 369.13435 187.4
[M+Na-2H]- 391.11630 186.9
[M]+ 370.14108 187.4
[M]- 370.14218 187.4
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

No patent data available for this compound.