CID 227363

3-acetyl-8-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)9-6-8-4-3-5-10(15-2)11(8)16-12(9)14/h3-6H,1-2H3
InChIKey
YZYLMMBZCXTXLW-UHFFFAOYSA-N
Compound name
3-acetyl-8-methoxychromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

13
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

literature stripe

Patent stripe

patents stripe