CID 23543

5,8-dimethoxy-2-methylchromone

Structural Information

Molecular Formula
C12H12O4
SMILES
CC1=CC(=O)C2=C(C=CC(=C2O1)OC)OC
InChI
InChI=1S/C12H12O4/c1-7-6-8(13)11-9(14-2)4-5-10(15-3)12(11)16-7/h4-6H,1-3H3
InChIKey
UFCZYGOJPCRTPW-UHFFFAOYSA-N
Compound name
5,8-dimethoxy-2-methylchromen-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

5
Patents

220.07356 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.080836 142.2
[M+Na]+ 243.062778 153.7
[M-H]- 219.066284 148.8
[M+NH4]+ 238.107383 161.4
[M+K]+ 259.036718 153.1
[M+H-H2O]+ 203.070820 136.2
[M+HCOO]- 265.071761 165.9
[M+CH3COO]- 279.087411 190.0
[M+Na-2H]- 241.048226 150.4
[M]+ 220.07301142 149.4
[M]- 220.07410858 149.4
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