CID 357014

Nsc614583

Structural Information

Molecular Formula
C14H10O4
SMILES
CC1=C(C(=O)OC2=C1C=CC3=C2C(=O)C=CO3)C
InChI
InChI=1S/C14H10O4/c1-7-8(2)14(16)18-13-9(7)3-4-11-12(13)10(15)5-6-17-11/h3-6H,1-2H3
InChIKey
HTFXZELMFKDLAE-UHFFFAOYSA-N
Compound name
3,4-dimethylpyrano[2,3-f]chromene-2,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.0579 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.06518 146.6
[M+Na]+ 265.04712 161.0
[M-H]- 241.05062 155.6
[M+NH4]+ 260.09172 164.7
[M+K]+ 281.02106 159.6
[M+H-H2O]+ 225.05516 140.1
[M+HCOO]- 287.05610 169.9
[M+CH3COO]- 301.07175 162.3
[M+Na-2H]- 263.03257 157.4
[M]+ 242.05735 154.9
[M]- 242.05845 154.9
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.