CID 656879

1,2-dihydroxy-7-hydroxymethylnaphthalene

Structural Information

Molecular Formula
C11H10O3
SMILES
C1=CC(=CC2=C1C=CC(=C2O)O)CO
InChI
InChI=1S/C11H10O3/c12-6-7-1-2-8-3-4-10(13)11(14)9(8)5-7/h1-5,12-14H,6H2
InChIKey
WJAGQFGIDQJIGK-UHFFFAOYSA-N
Compound name
7-(hydroxymethyl)naphthalene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

190.06299 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.07027 137.2
[M+Na]+ 213.05221 146.6
[M-H]- 189.05571 138.7
[M+NH4]+ 208.09681 156.5
[M+K]+ 229.02615 142.5
[M+H-H2O]+ 173.06025 132.3
[M+HCOO]- 235.06119 157.2
[M+CH3COO]- 249.07684 176.9
[M+Na-2H]- 211.03766 144.2
[M]+ 190.06244 136.7
[M]- 190.06354 136.7
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

patents stripe