CID 344407

7471-82-1

Structural Information

Molecular Formula
C13H12O3
SMILES
CC1=C(C(=O)OC2=C1C=C3CCOC3=C2)C
InChI
InChI=1S/C13H12O3/c1-7-8(2)13(14)16-12-6-11-9(3-4-15-11)5-10(7)12/h5-6H,3-4H2,1-2H3
InChIKey
ULWYOZMUMXSSMW-UHFFFAOYSA-N
Compound name
5,6-dimethyl-2,3-dihydrofuro[3,2-g]chromen-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

216.07864 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.08592 142.5
[M+Na]+ 239.06786 154.2
[M-H]- 215.07136 150.5
[M+NH4]+ 234.11246 163.3
[M+K]+ 255.04180 153.1
[M+H-H2O]+ 199.07590 137.8
[M+HCOO]- 261.07684 163.8
[M+CH3COO]- 275.09249 157.7
[M+Na-2H]- 237.05331 150.1
[M]+ 216.07809 147.2
[M]- 216.07919 147.2
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.