CID 11378967

Liqcoumarin

Structural Information

Molecular Formula
C12H10O4
SMILES
CC1=CC(=O)OC2=C1C(=C(C=C2)C(=O)C)O
InChI
InChI=1S/C12H10O4/c1-6-5-10(14)16-9-4-3-8(7(2)13)12(15)11(6)9/h3-5,15H,1-2H3
InChIKey
UMNMVZFOKSPTJN-UHFFFAOYSA-N
Compound name
6-acetyl-5-hydroxy-4-methylchromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

218.0579 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.06518 141.5
[M+Na]+ 241.04712 152.5
[M-H]- 217.05062 146.8
[M+NH4]+ 236.09172 159.8
[M+K]+ 257.02106 151.0
[M+H-H2O]+ 201.05516 136.0
[M+HCOO]- 263.05610 162.8
[M+CH3COO]- 277.07175 187.7
[M+Na-2H]- 239.03257 148.0
[M]+ 218.05735 145.5
[M]- 218.05845 145.5
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