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]+ 207.06518 140.4
[M+Na]+ 229.04712 148.6
[M-H]- 205.05062 141.5
[M+NH4]+ 224.09172 158.7
[M+K]+ 245.02106 145.3
[M+H-H2O]+ 189.05516 135.4
[M+HCOO]- 251.05610 158.2
[M+CH3COO]- 265.07175 179.6
[M+Na-2H]- 227.03257 145.3
[M]+ 206.05735 138.6
[M]- 206.05845 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.