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]+ 219.06518 143.4
[M+Na]+ 241.04712 153.1
[M-H]- 217.05062 145.1
[M+NH4]+ 236.09172 161.5
[M+K]+ 257.02106 149.5
[M+H-H2O]+ 201.05516 138.4
[M+HCOO]- 263.05610 162.3
[M+CH3COO]- 277.07175 183.6
[M+Na-2H]- 239.03257 148.0
[M]+ 218.05735 143.7
[M]- 218.05845 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.