CID 5355836

2107-77-9

Structural Information

Molecular Formula
C10H8O4
SMILES
CC1=CC(=O)OC2=C1C=CC(=C2O)O
InChI
InChI=1S/C10H8O4/c1-5-4-8(12)14-10-6(5)2-3-7(11)9(10)13/h2-4,11,13H,1H3
InChIKey
NWQBYMPNIJXFNQ-UHFFFAOYSA-N
Compound name
7,8-dihydroxy-4-methylchromen-2-one
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

49
References

279
Patents

192.04225 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.049526 134.2
[M+Na]+ 215.031468 145.7
[M-H]- 191.034974 138.3
[M+NH4]+ 210.076073 153.1
[M+K]+ 231.005408 143.7
[M+H-H2O]+ 175.039510 129.1
[M+HCOO]- 237.040451 155.4
[M+CH3COO]- 251.056101 179.1
[M+Na-2H]- 213.016916 142.4
[M]+ 192.04170142 137.0
[M]- 192.04279858 137.0
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