CID 5463800

6-hydroxy-1-naphthoic acid

Structural Information

Molecular Formula
C11H8O3
SMILES
C1=CC2=C(C=CC(=C2)O)C(=C1)C(=O)O
InChI
InChI=1S/C11H8O3/c12-8-4-5-9-7(6-8)2-1-3-10(9)11(13)14/h1-6,12H,(H,13,14)
InChIKey
JCJUKCIXTRWAQY-UHFFFAOYSA-N
Compound name
6-hydroxynaphthalene-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

4520
Patents

188.04735 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.05463 135.8
[M+Na]+ 211.03657 144.7
[M-H]- 187.04007 138.4
[M+NH4]+ 206.08117 155.4
[M+K]+ 227.01051 141.4
[M+H-H2O]+ 171.04461 130.6
[M+HCOO]- 233.04555 156.5
[M+CH3COO]- 247.06120 178.2
[M+Na-2H]- 209.02202 142.8
[M]+ 188.04680 135.4
[M]- 188.04790 135.4
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