CID 5337757

7-hydroxycoumarin-3-carboxylic acid

Structural Information

Molecular Formula
C10H6O5
SMILES
C1=CC2=C(C=C1O)OC(=O)C(=C2)C(=O)O
InChI
InChI=1S/C10H6O5/c11-6-2-1-5-3-7(9(12)13)10(14)15-8(5)4-6/h1-4,11H,(H,12,13)
InChIKey
LKLWLDOUZJEHDY-UHFFFAOYSA-N
Compound name
7-hydroxy-2-oxochromene-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

31
References

1784
Patents

206.02153 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.02881 136.0
[M+Na]+ 229.01075 146.4
[M-H]- 205.01425 139.8
[M+NH4]+ 224.05535 153.7
[M+K]+ 244.98469 144.9
[M+H-H2O]+ 189.01879 130.6
[M+HCOO]- 251.01973 156.6
[M+CH3COO]- 265.03538 180.3
[M+Na-2H]- 226.99620 143.8
[M]+ 206.02098 138.5
[M]- 206.02208 138.5
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