CID 10944306

2-hydroxy-7-methoxy-5-methyl-1-naphthoate

Structural Information

Molecular Formula
C13H12O4
SMILES
CC1=CC(=CC2=C1C=CC(=C2C(=O)O)O)OC
InChI
InChI=1S/C13H12O4/c1-7-5-8(17-2)6-10-9(7)3-4-11(14)12(10)13(15)16/h3-6,14H,1-2H3,(H,15,16)
InChIKey
LYGUXQMPYLCEGL-UHFFFAOYSA-N
Compound name
2-hydroxy-7-methoxy-5-methylnaphthalene-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2
Patents

232.07356 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.08084 148.5
[M+Na]+ 255.06278 161.9
[M+NH4]+ 250.10738 156.1
[M+K]+ 271.03672 156.6
[M-H]- 231.06628 149.8
[M+Na-2H]- 253.04823 153.5
[M]+ 232.07301 150.7
[M]- 232.07411 150.7
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