CID 5315688

7-hydroxy-2-methyl-4-oxo-4h-1-benzopyran-5-carboxylic acid

Structural Information

Molecular Formula
C11H8O5
SMILES
CC1=CC(=O)C2=C(C=C(C=C2O1)O)C(=O)O
InChI
InChI=1S/C11H8O5/c1-5-2-8(13)10-7(11(14)15)3-6(12)4-9(10)16-5/h2-4,12H,1H3,(H,14,15)
InChIKey
ZCNVIPLKMDPDHM-UHFFFAOYSA-N
Compound name
7-hydroxy-2-methyl-4-oxochromene-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.03717 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.04445 142.1
[M+Na]+ 243.02639 155.8
[M+NH4]+ 238.07099 149.0
[M+K]+ 259.00033 151.7
[M-H]- 219.02989 144.0
[M+Na-2H]- 241.01184 146.5
[M]+ 220.03662 144.5
[M]- 220.03772 144.5
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.