CID 608330

3-hydroxy-7-methoxy-2-naphthoic acid

Structural Information

Molecular Formula
C12H10O4
SMILES
COC1=CC2=CC(=C(C=C2C=C1)O)C(=O)O
InChI
InChI=1S/C12H10O4/c1-16-9-3-2-7-6-11(13)10(12(14)15)5-8(7)4-9/h2-6,13H,1H3,(H,14,15)
InChIKey
UDAQUPSJOGVPIX-UHFFFAOYSA-N
Compound name
3-hydroxy-7-methoxynaphthalene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

271
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 143.2
[M+Na]+ 241.047118 152.4
[M-H]- 217.050624 145.9
[M+NH4]+ 236.091723 161.7
[M+K]+ 257.021058 149.5
[M+H-H2O]+ 201.055160 137.7
[M+HCOO]- 263.056101 163.6
[M+CH3COO]- 277.071751 184.6
[M+Na-2H]- 239.032566 149.0
[M]+ 218.05735142 144.9
[M]- 218.05844858 144.9
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