CID 5373900

3374-03-6

Structural Information

Molecular Formula
C11H10O4
SMILES
CC1=CC(=O)OC2=CC(=C(C=C12)OC)O
InChI
InChI=1S/C11H10O4/c1-6-3-11(13)15-9-5-8(12)10(14-2)4-7(6)9/h3-5,12H,1-2H3
InChIKey
QCYBWCHUJBLPBM-UHFFFAOYSA-N
Compound name
7-hydroxy-6-methoxy-4-methylchromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

206.0579 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.06518 138.2
[M+Na]+ 229.04712 149.7
[M-H]- 205.05062 143.6
[M+NH4]+ 224.09172 157.2
[M+K]+ 245.02106 148.4
[M+H-H2O]+ 189.05516 132.6
[M+HCOO]- 251.05610 160.6
[M+CH3COO]- 265.07175 184.5
[M+Na-2H]- 227.03257 146.4
[M]+ 206.05735 143.1
[M]- 206.05845 143.1
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