CID 23048014

2,8-dihydroxy-1-naphthaldehyde

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

188.04735 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.054626 135.3
[M+Na]+ 211.036568 145.5
[M-H]- 187.040074 138.2
[M+NH4]+ 206.081173 155.3
[M+K]+ 227.010508 141.7
[M+H-H2O]+ 171.044610 130.2
[M+HCOO]- 233.045551 157.0
[M+CH3COO]- 247.061201 178.5
[M+Na-2H]- 209.022016 142.9
[M]+ 188.04680142 135.9
[M]- 188.04789858 135.9
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