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]+ 221.044446 140.5
[M+Na]+ 243.026388 151.3
[M-H]- 219.029894 144.5
[M+NH4]+ 238.070993 157.9
[M+K]+ 259.000328 149.7
[M+H-H2O]+ 203.034430 135.1
[M+HCOO]- 265.035371 160.7
[M+CH3COO]- 279.051021 184.6
[M+Na-2H]- 241.011836 147.1
[M]+ 220.03662142 143.7
[M]- 220.03771858 143.7
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.