CID 133408

64981-70-0

Structural Information

Molecular Formula
C16H16O5
SMILES
CC1(CCC(O1)C2=CC(=O)C3=C(C=CC(=C3C2=O)O)O)C
InChI
InChI=1S/C16H16O5/c1-16(2)6-5-12(21-16)8-7-11(19)13-9(17)3-4-10(18)14(13)15(8)20/h3-4,7,12,17-18H,5-6H2,1-2H3
InChIKey
ALRXDRQNAJOPCP-UHFFFAOYSA-N
Compound name
2-(5,5-dimethyloxolan-2-yl)-5,8-dihydroxynaphthalene-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

288.09976 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.10704 161.6
[M+Na]+ 311.08898 171.5
[M-H]- 287.09248 168.3
[M+NH4]+ 306.13358 180.1
[M+K]+ 327.06292 168.5
[M+H-H2O]+ 271.09702 156.8
[M+HCOO]- 333.09796 178.9
[M+CH3COO]- 347.11361 197.8
[M+Na-2H]- 309.07443 163.8
[M]+ 288.09921 162.4
[M]- 288.10031 162.4
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

patents stripe