CID 5466237

Nsc682321

Structural Information

Molecular Formula
C11H10O4
SMILES
CC1=C(OC2=CC(=CC(=C2C1=O)O)O)C
InChI
InChI=1S/C11H10O4/c1-5-6(2)15-9-4-7(12)3-8(13)10(9)11(5)14/h3-4,12-13H,1-2H3
InChIKey
YSKPXVVMXGIVOJ-UHFFFAOYSA-N
Compound name
5,7-dihydroxy-2,3-dimethylchromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

206.0579 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.06518 138.7
[M+Na]+ 229.04712 150.7
[M-H]- 205.05062 143.1
[M+NH4]+ 224.09172 157.3
[M+K]+ 245.02106 148.6
[M+H-H2O]+ 189.05516 133.7
[M+HCOO]- 251.05610 159.6
[M+CH3COO]- 265.07175 183.4
[M+Na-2H]- 227.03257 145.7
[M]+ 206.05735 142.3
[M]- 206.05845 142.3
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

patents stripe