CID 540404

3-acetyl-6-methoxy-2h-chromen-2-one

Structural Information

Molecular Formula
C12H10O4
SMILES
CC(=O)C1=CC2=C(C=CC(=C2)OC)OC1=O
InChI
InChI=1S/C12H10O4/c1-7(13)10-6-8-5-9(15-2)3-4-11(8)16-12(10)14/h3-6H,1-2H3
InChIKey
AAVQBJDAXLIBIO-UHFFFAOYSA-N
Compound name
3-acetyl-6-methoxychromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

9
Patents

218.0579 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.06518 141.2
[M+Na]+ 241.04712 151.8
[M-H]- 217.05062 147.5
[M+NH4]+ 236.09172 160.0
[M+K]+ 257.02106 151.1
[M+H-H2O]+ 201.05516 135.2
[M+HCOO]- 263.05610 164.1
[M+CH3COO]- 277.07175 188.9
[M+Na-2H]- 239.03257 148.9
[M]+ 218.05735 146.6
[M]- 218.05845 146.6
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

No patent data available for this compound.