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 141.4
[M+Na]+ 231.06278 148.3
[M-H]- 207.06628 143.1
[M+NH4]+ 226.10738 160.1
[M+K]+ 247.03672 145.6
[M+H-H2O]+ 191.07082 136.4
[M+HCOO]- 253.07176 158.0
[M+CH3COO]- 267.08741 181.9
[M+Na-2H]- 229.04823 144.9
[M]+ 208.07301 137.8
[M]- 208.07411 137.8
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