CID 5466208

Nsc681717

Structural Information

Molecular Formula
C14H12O5
SMILES
CC1C(OC2=C(C1=O)C3=C(C=CC(=O)O3)C(=C2)O)C
InChI
InChI=1S/C14H12O5/c1-6-7(2)18-10-5-9(15)8-3-4-11(16)19-14(8)12(10)13(6)17/h3-7,15H,1-2H3
InChIKey
KKMANOHNBFSASV-UHFFFAOYSA-N
Compound name
5-hydroxy-8,9-dimethyl-8,9-dihydropyrano[2,3-f]chromene-2,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.06848 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.075756 152.4
[M+Na]+ 283.057698 163.9
[M-H]- 259.061204 159.1
[M+NH4]+ 278.102303 168.9
[M+K]+ 299.031638 162.8
[M+H-H2O]+ 243.065740 146.2
[M+HCOO]- 305.066681 169.9
[M+CH3COO]- 319.082331 196.8
[M+Na-2H]- 281.043146 159.5
[M]+ 260.06793142 156.5
[M]- 260.06902858 156.5
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.