CID 13548877

2,7-dihydroxy-5-methyl-1-naphthoate

Structural Information

Molecular Formula
C12H10O4
SMILES
CC1=CC(=CC2=C1C=CC(=C2C(=O)O)O)O
InChI
InChI=1S/C12H10O4/c1-6-4-7(13)5-9-8(6)2-3-10(14)11(9)12(15)16/h2-5,13-14H,1H3,(H,15,16)
InChIKey
BLBGRTHACSTGEL-UHFFFAOYSA-N
Compound name
2,7-dihydroxy-5-methylnaphthalene-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

218.0579 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.065176 143.4
[M+Na]+ 241.047118 153.1
[M-H]- 217.050624 145.1
[M+NH4]+ 236.091723 161.5
[M+K]+ 257.021058 149.5
[M+H-H2O]+ 201.055160 138.4
[M+HCOO]- 263.056101 162.3
[M+CH3COO]- 277.071751 183.6
[M+Na-2H]- 239.032566 148.0
[M]+ 218.05735142 143.7
[M]- 218.05844858 143.7
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

No patent data available for this compound.