CID 11022681

(s)-angelicain

Structural Information

Molecular Formula
C15H16O6
SMILES
CC(C)(C1CC2=C(O1)C=C3C(=C2O)C(=O)C=C(O3)CO)O
InChI
InChI=1S/C15H16O6/c1-15(2,19)12-4-8-10(21-12)5-11-13(14(8)18)9(17)3-7(6-16)20-11/h3,5,12,16,18-19H,4,6H2,1-2H3
InChIKey
FHCHSXPHLRBEBR-UHFFFAOYSA-N
Compound name
4-hydroxy-7-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)-2,3-dihydrofuro[3,2-g]chromen-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

292.0947 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.10198 161.9
[M+Na]+ 315.08392 173.3
[M+NH4]+ 310.12852 168.1
[M+K]+ 331.05786 172.3
[M-H]- 291.08742 163.9
[M+Na-2H]- 313.06937 162.5
[M]+ 292.09415 164.0
[M]- 292.09525 164.0
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

patents stripe