CID 386660

Nsc679186

Structural Information

Molecular Formula
C16H16O5
SMILES
CC1(CC(C2=C(O1)C(=O)C3=C(C2=O)C=CC=C3OC)O)C
InChI
InChI=1S/C16H16O5/c1-16(2)7-9(17)12-13(18)8-5-4-6-10(20-3)11(8)14(19)15(12)21-16/h4-6,9,17H,7H2,1-3H3
InChIKey
KHFQDZMHUKNPEI-UHFFFAOYSA-N
Compound name
4-hydroxy-9-methoxy-2,2-dimethyl-3,4-dihydrobenzo[g]chromene-5,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.09976 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.10704 160.7
[M+Na]+ 311.08898 171.1
[M-H]- 287.09248 166.2
[M+NH4]+ 306.13358 179.2
[M+K]+ 327.06292 169.1
[M+H-H2O]+ 271.09702 154.7
[M+HCOO]- 333.09796 176.9
[M+CH3COO]- 347.11361 202.3
[M+Na-2H]- 309.07443 166.4
[M]+ 288.09921 163.7
[M]- 288.10031 163.7
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.