CID 383146

Nsc671187

Structural Information

Molecular Formula
C12H10O4
SMILES
COC(=O)C1=CC2=C(C=C1)C(=C(C=C2)O)O
InChI
InChI=1S/C12H10O4/c1-16-12(15)8-2-4-9-7(6-8)3-5-10(13)11(9)14/h2-6,13-14H,1H3
InChIKey
OHWJXNLECYLABW-UHFFFAOYSA-N
Compound name
methyl 5,6-dihydroxynaphthalene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

9
Patents

218.0579 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.06518 143.4
[M+Na]+ 241.04712 152.7
[M-H]- 217.05062 146.2
[M+NH4]+ 236.09172 162.0
[M+K]+ 257.02106 149.8
[M+H-H2O]+ 201.05516 137.9
[M+HCOO]- 263.05610 163.9
[M+CH3COO]- 277.07175 183.9
[M+Na-2H]- 239.03257 149.2
[M]+ 218.05735 145.1
[M]- 218.05845 145.1
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.