CID 390802

5,6,7-trimethoxy-4-methyl-2h-chromen-2-one

Structural Information

Molecular Formula
C13H14O5
SMILES
CC1=CC(=O)OC2=CC(=C(C(=C12)OC)OC)OC
InChI
InChI=1S/C13H14O5/c1-7-5-10(14)18-8-6-9(15-2)12(16-3)13(17-4)11(7)8/h5-6H,1-4H3
InChIKey
CSQKYLCDFGRIIK-UHFFFAOYSA-N
Compound name
5,6,7-trimethoxy-4-methylchromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

2
Patents

250.08412 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.09140 149.6
[M+Na]+ 273.07334 161.3
[M-H]- 249.07684 156.4
[M+NH4]+ 268.11794 167.7
[M+K]+ 289.04728 161.3
[M+H-H2O]+ 233.08138 143.3
[M+HCOO]- 295.08232 173.0
[M+CH3COO]- 309.09797 196.5
[M+Na-2H]- 271.05879 156.6
[M]+ 250.08357 159.0
[M]- 250.08467 159.0
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