CID 131751499

34107-36-3

Structural Information

Molecular Formula
C21H24O5
SMILES
CCCC1=CC(=O)OC2=C3C=CC(OC3=C(C(=C12)O)C(=O)C(C)C)(C)C
InChI
InChI=1S/C21H24O5/c1-6-7-12-10-14(22)25-19-13-8-9-21(4,5)26-20(13)16(17(23)11(2)3)18(24)15(12)19/h8-11,24H,6-7H2,1-5H3
InChIKey
QPGVMBKJECZCKK-UHFFFAOYSA-N
Compound name
5-hydroxy-8,8-dimethyl-6-(2-methylpropanoyl)-4-propylpyrano[2,3-h]chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.16238 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.16966 183.4
[M+Na]+ 379.15160 193.1
[M-H]- 355.15510 189.5
[M+NH4]+ 374.19620 197.8
[M+K]+ 395.12554 191.9
[M+H-H2O]+ 339.15964 176.6
[M+HCOO]- 401.16058 197.7
[M+CH3COO]- 415.17623 218.7
[M+Na-2H]- 377.13705 186.5
[M]+ 356.16183 190.3
[M]- 356.16293 190.3
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.