CID 598386

8-hydroxynaphthalene-1-carboxylic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

609
Patents

188.04735 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.054626 135.8
[M+Na]+ 211.036568 144.7
[M-H]- 187.040074 138.4
[M+NH4]+ 206.081173 155.4
[M+K]+ 227.010508 141.4
[M+H-H2O]+ 171.044610 130.6
[M+HCOO]- 233.045551 156.5
[M+CH3COO]- 247.061201 178.2
[M+Na-2H]- 209.022016 142.8
[M]+ 188.04680142 135.4
[M]- 188.04789858 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