CID 361274

Nsc624217

Structural Information

Molecular Formula
C14H12O5
SMILES
C1CC(OC1)C2=CC(=O)C3=C(C=CC(=C3C2=O)O)O
InChI
InChI=1S/C14H12O5/c15-8-3-4-9(16)13-12(8)10(17)6-7(14(13)18)11-2-1-5-19-11/h3-4,6,11,15-16H,1-2,5H2
InChIKey
NADPSEGJEKGJBY-UHFFFAOYSA-N
Compound name
5,8-dihydroxy-2-(oxolan-2-yl)naphthalene-1,4-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 153.4
[M+Na]+ 283.05770 162.2
[M-H]- 259.06120 159.8
[M+NH4]+ 278.10230 170.6
[M+K]+ 299.03164 159.4
[M+H-H2O]+ 243.06574 148.1
[M+HCOO]- 305.06668 171.4
[M+CH3COO]- 319.08233 190.9
[M+Na-2H]- 281.04315 156.0
[M]+ 260.06793 152.7
[M]- 260.06903 152.7
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.