CID 5412913

7-hydroxy-6-methyl-2h-1-benzopyran-2-one

Structural Information

Molecular Formula
C10H8O3
SMILES
CC1=CC2=C(C=C1O)OC(=O)C=C2
InChI
InChI=1S/C10H8O3/c1-6-4-7-2-3-10(12)13-9(7)5-8(6)11/h2-5,11H,1H3
InChIKey
QWQWBHZHRMHXOC-UHFFFAOYSA-N
Compound name
7-hydroxy-6-methylchromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

176.04735 Da
Monoisotopic Mass

1.9
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

literature stripe

Patent stripe

patents stripe