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]+ 219.065176 141.5
[M+Na]+ 241.047118 151.7
[M-H]- 217.050624 149.5
[M+NH4]+ 236.091723 158.4
[M+K]+ 257.021058 152.6
[M+H-H2O]+ 201.055160 135.1
[M+HCOO]- 263.056101 160.0
[M+CH3COO]- 277.071751 155.8
[M+Na-2H]- 239.032566 152.6
[M]+ 218.05735142 145.2
[M]- 218.05844858 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.