CID 54687016

4-hydroxy-3-methyl-2h-chromen-2-one

Structural Information

Molecular Formula
C10H8O3
SMILES
CC1=C(C2=CC=CC=C2OC1=O)O
InChI
InChI=1S/C10H8O3/c1-6-9(11)7-4-2-3-5-8(7)13-10(6)12/h2-5,11H,1H3
InChIKey
RBZSTMCKGZFSOH-UHFFFAOYSA-N
Compound name
4-hydroxy-3-methylchromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

61
Patents

176.04735 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.05463 130.5
[M+Na]+ 199.03657 141.7
[M-H]- 175.04007 135.8
[M+NH4]+ 194.08117 150.6
[M+K]+ 215.01051 140.0
[M+H-H2O]+ 159.04461 125.3
[M+HCOO]- 221.04555 153.2
[M+CH3COO]- 235.06120 178.0
[M+Na-2H]- 197.02202 140.0
[M]+ 176.04680 133.3
[M]- 176.04790 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.