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]+ 261.07576 152.4
[M+Na]+ 283.05770 163.9
[M-H]- 259.06120 159.1
[M+NH4]+ 278.10230 168.9
[M+K]+ 299.03164 162.8
[M+H-H2O]+ 243.06574 146.2
[M+HCOO]- 305.06668 169.9
[M+CH3COO]- 319.08233 196.8
[M+Na-2H]- 281.04315 159.5
[M]+ 260.06793 156.5
[M]- 260.06903 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.