CID 243541

6943-52-8

Structural Information

Molecular Formula
C11H12O4
SMILES
C1C=CC(C2C1C(C=CC2=O)O)C(=O)O
InChI
InChI=1S/C11H12O4/c12-8-4-5-9(13)10-6(8)2-1-3-7(10)11(14)15/h1,3-8,10,12H,2H2,(H,14,15)
InChIKey
IZTKKSDDRFMLJJ-UHFFFAOYSA-N
Compound name
5-hydroxy-8-oxo-4,4a,5,8a-tetrahydro-1H-naphthalene-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

208.07356 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.08084 142.7
[M+Na]+ 231.06278 153.3
[M+NH4]+ 226.10738 150.1
[M+K]+ 247.03672 148.8
[M-H]- 207.06628 143.0
[M+Na-2H]- 229.04823 145.6
[M]+ 208.07301 143.9
[M]- 208.07411 143.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe