CID 131751500

39036-48-1

Structural Information

Molecular Formula
C24H30O5
SMILES
CCCCCC1=CC(=O)OC2=C3C=CC(OC3=C(C(=C12)O)C(=O)C(C)CC)(C)C
InChI
InChI=1S/C24H30O5/c1-6-8-9-10-15-13-17(25)28-22-16-11-12-24(4,5)29-23(16)19(21(27)18(15)22)20(26)14(3)7-2/h11-14,27H,6-10H2,1-5H3
InChIKey
YBYLFVYSBOCFRD-UHFFFAOYSA-N
Compound name
5-hydroxy-8,8-dimethyl-6-(2-methylbutanoyl)-4-pentylpyrano[2,3-h]chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

398.20932 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.216596 197.7
[M+Na]+ 421.198538 206.0
[M-H]- 397.202044 203.1
[M+NH4]+ 416.243143 210.3
[M+K]+ 437.172478 204.2
[M+H-H2O]+ 381.206580 190.3
[M+HCOO]- 443.207521 210.9
[M+CH3COO]- 457.223171 227.5
[M+Na-2H]- 419.183986 199.1
[M]+ 398.20877142 205.5
[M]- 398.20986858 205.5
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.