CID 8417

Scoparone

Structural Information

Molecular Formula
C11H10O4
SMILES
COC1=C(C=C2C(=C1)C=CC(=O)O2)OC
InChI
InChI=1S/C11H10O4/c1-13-9-5-7-3-4-11(12)15-8(7)6-10(9)14-2/h3-6H,1-2H3
InChIKey
GUAFOGOEJLSQBT-UHFFFAOYSA-N
Compound name
6,7-dimethoxychromen-2-one
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

246
References

5511
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 137.8
[M+Na]+ 229.04712 148.8
[M-H]- 205.05062 144.2
[M+NH4]+ 224.09172 157.2
[M+K]+ 245.02106 148.4
[M+H-H2O]+ 189.05516 131.8
[M+HCOO]- 251.05610 161.8
[M+CH3COO]- 265.07175 185.7
[M+Na-2H]- 227.03257 147.2
[M]+ 206.05735 144.1
[M]- 206.05845 144.1
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