CID 207582

30211-36-0

Structural Information

Molecular Formula
C12H10O4
SMILES
CC1=CC(=O)OC2=CC3=C(C=C12)OCCO3
InChI
InChI=1S/C12H10O4/c1-7-4-12(13)16-9-6-11-10(5-8(7)9)14-2-3-15-11/h4-6H,2-3H2,1H3
InChIKey
STRLWEBIMKGIRV-UHFFFAOYSA-N
Compound name
9-methyl-2,3-dihydropyrano[2,3-g][1,4]benzodioxin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

218.0579 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.06518 141.5
[M+Na]+ 241.04712 151.7
[M-H]- 217.05062 149.5
[M+NH4]+ 236.09172 158.4
[M+K]+ 257.02106 152.6
[M+H-H2O]+ 201.05516 135.1
[M+HCOO]- 263.05610 160.0
[M+CH3COO]- 277.07175 155.8
[M+Na-2H]- 239.03257 152.6
[M]+ 218.05735 145.2
[M]- 218.05845 145.2
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

No patent data available for this compound.