CID 15955456

8-hydroxy-2-methoxy-tetralin-1,4-dione

Structural Information

Molecular Formula
C11H10O4
SMILES
COC1CC(=O)C2=C(C1=O)C(=CC=C2)O
InChI
InChI=1S/C11H10O4/c1-15-9-5-8(13)6-3-2-4-7(12)10(6)11(9)14/h2-4,9,12H,5H2,1H3
InChIKey
ULAROCWMCVXXFE-UHFFFAOYSA-N
Compound name
8-hydroxy-2-methoxy-2,3-dihydronaphthalene-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

206.0579 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.06518 138.7
[M+Na]+ 229.04712 148.2
[M-H]- 205.05062 142.6
[M+NH4]+ 224.09172 158.6
[M+K]+ 245.02106 145.8
[M+H-H2O]+ 189.05516 133.4
[M+HCOO]- 251.05610 159.3
[M+CH3COO]- 265.07175 184.3
[M+Na-2H]- 227.03257 144.2
[M]+ 206.05735 139.4
[M]- 206.05845 139.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.