CID 656872

Cis-1,2-dihydroxy-1,2-dihydro-8-carboxynaphthalene

Structural Information

Molecular Formula
C11H10O4
SMILES
C1=CC2=C([C@H]([C@H](C=C2)O)O)C(=C1)C(=O)O
InChI
InChI=1S/C11H10O4/c12-8-5-4-6-2-1-3-7(11(14)15)9(6)10(8)13/h1-5,8,10,12-13H,(H,14,15)/t8-,10-/m0/s1
InChIKey
ZSELXDLKMICUKK-WPRPVWTQSA-N
Compound name
(7S,8R)-7,8-dihydroxy-7,8-dihydronaphthalene-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.0579 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.065176 140.4
[M+Na]+ 229.047118 148.6
[M-H]- 205.050624 141.5
[M+NH4]+ 224.091723 158.7
[M+K]+ 245.021058 145.3
[M+H-H2O]+ 189.055160 135.4
[M+HCOO]- 251.056101 158.2
[M+CH3COO]- 265.071751 179.6
[M+Na-2H]- 227.032566 145.3
[M]+ 206.05735142 138.6
[M]- 206.05844858 138.6
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

No patent data available for this compound.