CID 6440498

145414-76-2

Structural Information

Molecular Formula
C21H24O6
SMILES
C/C(=C\COC1=C2C=CC(=O)OC2=CC3=C1C=CO3)/CCC(C(C)(C)O)O
InChI
InChI=1S/C21H24O6/c1-13(4-6-18(22)21(2,3)24)8-10-26-20-14-5-7-19(23)27-17(14)12-16-15(20)9-11-25-16/h5,7-9,11-12,18,22,24H,4,6,10H2,1-3H3/b13-8+
InChIKey
IXZUPBUEKFXTSD-MDWZMJQESA-N
Compound name
4-[(E)-6,7-dihydroxy-3,7-dimethyloct-2-enoxy]furo[3,2-g]chromen-7-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

44
References

153
Patents

372.1573 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.16458 188.6
[M+Na]+ 395.14652 196.0
[M-H]- 371.15002 193.1
[M+NH4]+ 390.19112 200.8
[M+K]+ 411.12046 194.5
[M+H-H2O]+ 355.15456 182.9
[M+HCOO]- 417.15550 203.8
[M+CH3COO]- 431.17115 213.9
[M+Na-2H]- 393.13197 192.6
[M]+ 372.15675 196.6
[M]- 372.15785 196.6
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.