CID 54676122

4-hydroxy-8-methyl-2h-chromen-2-one

Structural Information

Molecular Formula
C10H8O3
SMILES
CC1=C2C(=CC=C1)C(=CC(=O)O2)O
InChI
InChI=1S/C10H8O3/c1-6-3-2-4-7-8(11)5-9(12)13-10(6)7/h2-5,11H,1H3
InChIKey
SWTGXRICOTZSFY-UHFFFAOYSA-N
Compound name
4-hydroxy-8-methylchromen-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

88
Patents

176.04735 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.054626 130.5
[M+Na]+ 199.036568 141.7
[M-H]- 175.040074 135.8
[M+NH4]+ 194.081173 150.6
[M+K]+ 215.010508 140.0
[M+H-H2O]+ 159.044610 125.3
[M+HCOO]- 221.045551 153.2
[M+CH3COO]- 235.061201 178.0
[M+Na-2H]- 197.022016 140.0
[M]+ 176.04680142 133.3
[M]- 176.04789858 133.3
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