CID 54688618

Coumarin, 4,7-dihydroxy-, 7-acetate

Structural Information

Molecular Formula
C11H8O5
SMILES
CC(=O)OC1=CC2=C(C=C1)C(=CC(=O)O2)O
InChI
InChI=1S/C11H8O5/c1-6(12)15-7-2-3-8-9(13)5-11(14)16-10(8)4-7/h2-5,13H,1H3
InChIKey
MAJNOKUCKPYQDI-UHFFFAOYSA-N
Compound name
(4-hydroxy-2-oxochromen-7-yl) acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.03717 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.044446 140.3
[M+Na]+ 243.026388 150.7
[M-H]- 219.029894 145.4
[M+NH4]+ 238.070993 158.2
[M+K]+ 259.000328 150.0
[M+H-H2O]+ 203.034430 134.5
[M+HCOO]- 265.035371 162.1
[M+CH3COO]- 279.051021 185.0
[M+Na-2H]- 241.011836 148.1
[M]+ 220.03662142 144.9
[M]- 220.03771858 144.9
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