CID 179597

Nsc649414

Structural Information

Molecular Formula
C15H16O7
SMILES
CC(C)(C(COC1=C2C=CC(=O)OC2=CC3=C1OCO3)O)O
InChI
InChI=1S/C15H16O7/c1-15(2,18)11(16)6-19-13-8-3-4-12(17)22-9(8)5-10-14(13)21-7-20-10/h3-5,11,16,18H,6-7H2,1-2H3
InChIKey
RDPGEFVUMRTSBB-UHFFFAOYSA-N
Compound name
9-(2,3-dihydroxy-3-methylbutoxy)-[1,3]dioxolo[4,5-g]chromen-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

308.0896 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.09688 164.9
[M+Na]+ 331.07882 173.0
[M-H]- 307.08232 170.2
[M+NH4]+ 326.12342 178.3
[M+K]+ 347.05276 174.5
[M+H-H2O]+ 291.08686 160.3
[M+HCOO]- 353.08780 179.4
[M+CH3COO]- 367.10345 200.1
[M+Na-2H]- 329.06427 172.5
[M]+ 308.08905 171.6
[M]- 308.09015 171.6
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.