CID 13989553

6,7-dihydroxycoumarin-3-carboxylic acid

Structural Information

Molecular Formula
C10H6O6
SMILES
C1=C2C=C(C(=O)OC2=CC(=C1O)O)C(=O)O
InChI
InChI=1S/C10H6O6/c11-6-2-4-1-5(9(13)14)10(15)16-8(4)3-7(6)12/h1-3,11-12H,(H,13,14)
InChIKey
STCWBNGIVIFZHI-UHFFFAOYSA-N
Compound name
6,7-dihydroxy-2-oxochromene-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

58
Patents

222.01643 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.02371 139.2
[M+Na]+ 245.00565 149.8
[M-H]- 221.00915 141.9
[M+NH4]+ 240.05025 155.6
[M+K]+ 260.97959 148.3
[M+H-H2O]+ 205.01369 133.9
[M+HCOO]- 267.01463 158.4
[M+CH3COO]- 281.03028 181.7
[M+Na-2H]- 242.99110 145.9
[M]+ 222.01588 141.7
[M]- 222.01698 141.7
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

patents stripe