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]+ 357.169656 183.4
[M+Na]+ 379.151598 193.1
[M-H]- 355.155104 189.5
[M+NH4]+ 374.196203 197.8
[M+K]+ 395.125538 191.9
[M+H-H2O]+ 339.159640 176.6
[M+HCOO]- 401.160581 197.7
[M+CH3COO]- 415.176231 218.7
[M+Na-2H]- 377.137046 186.5
[M]+ 356.16183142 190.3
[M]- 356.16292858 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.