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]+ 221.04445 140.3
[M+Na]+ 243.02639 150.7
[M-H]- 219.02989 145.4
[M+NH4]+ 238.07099 158.2
[M+K]+ 259.00033 150.0
[M+H-H2O]+ 203.03443 134.5
[M+HCOO]- 265.03537 162.1
[M+CH3COO]- 279.05102 185.0
[M+Na-2H]- 241.01184 148.1
[M]+ 220.03662 144.9
[M]- 220.03772 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