CID 4981

10523-56-5

Structural Information

Molecular Formula
C17H18O6
SMILES
CC(C)(C(CC1=C2C=CC(=O)OC2=C(C3=C1C=CO3)OC)O)O
InChI
InChI=1S/C17H18O6/c1-17(2,20)12(18)8-11-9-4-5-13(19)23-15(9)16(21-3)14-10(11)6-7-22-14/h4-7,12,18,20H,8H2,1-3H3
InChIKey
ATYUBHYTYSFHCA-UHFFFAOYSA-N
Compound name
4-(2,3-dihydroxy-3-methylbutyl)-9-methoxyfuro[3,2-g]chromen-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

318.11035 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.11763 170.3
[M+Na]+ 341.09957 180.4
[M-H]- 317.10307 175.8
[M+NH4]+ 336.14417 185.2
[M+K]+ 357.07351 179.8
[M+H-H2O]+ 301.10761 165.3
[M+HCOO]- 363.10855 187.7
[M+CH3COO]- 377.12420 203.9
[M+Na-2H]- 339.08502 177.0
[M]+ 318.10980 178.8
[M]- 318.11090 178.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.