CID 5324556

Oosponol

Structural Information

Molecular Formula
C11H8O5
SMILES
C1=CC2=C(C(=C1)O)C(=O)OC=C2C(=O)CO
InChI
InChI=1S/C11H8O5/c12-4-9(14)7-5-16-11(15)10-6(7)2-1-3-8(10)13/h1-3,5,12-13H,4H2
InChIKey
WRIZJEREXIDJCC-UHFFFAOYSA-N
Compound name
8-hydroxy-4-(2-hydroxyacetyl)isochromen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

18
Patents

220.03717 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.04445 140.8
[M+Na]+ 243.02639 150.7
[M-H]- 219.02989 144.4
[M+NH4]+ 238.07099 157.9
[M+K]+ 259.00033 149.1
[M+H-H2O]+ 203.03443 135.2
[M+HCOO]- 265.03537 161.1
[M+CH3COO]- 279.05102 183.3
[M+Na-2H]- 241.01184 148.1
[M]+ 220.03662 143.6
[M]- 220.03772 143.6
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

patents stripe