CID 605378

2-oxo-2h-chromene-4-carboxylic acid

Structural Information

Molecular Formula
C10H6O4
SMILES
C1=CC=C2C(=C1)C(=CC(=O)O2)C(=O)O
InChI
InChI=1S/C10H6O4/c11-9-5-7(10(12)13)6-3-1-2-4-8(6)14-9/h1-5H,(H,12,13)
InChIKey
DORZTUIRBJRLFD-UHFFFAOYSA-N
Compound name
2-oxochromene-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

99
Patents

190.02661 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.03389 132.8
[M+Na]+ 213.01583 142.8
[M-H]- 189.01933 137.6
[M+NH4]+ 208.06043 151.6
[M+K]+ 228.98977 141.6
[M+H-H2O]+ 173.02387 127.2
[M+HCOO]- 235.02481 154.8
[M+CH3COO]- 249.04046 179.1
[M+Na-2H]- 211.00128 141.7
[M]+ 190.02606 135.2
[M]- 190.02716 135.2
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

patents stripe