CID 375454

6,7-dihydroxynaphthalene-2-carboxamide

Structural Information

Molecular Formula
C11H9NO3
SMILES
C1=CC(=CC2=CC(=C(C=C21)O)O)C(=O)N
InChI
InChI=1S/C11H9NO3/c12-11(15)7-2-1-6-4-9(13)10(14)5-8(6)3-7/h1-5,13-14H,(H2,12,15)
InChIKey
PXGLKMVBMFGFCW-UHFFFAOYSA-N
Compound name
6,7-dihydroxynaphthalene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

203.05824 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.065516 140.3
[M+Na]+ 226.047458 149.2
[M-H]- 202.050964 142.6
[M+NH4]+ 221.092063 158.9
[M+K]+ 242.021398 145.6
[M+H-H2O]+ 186.055500 134.9
[M+HCOO]- 248.056441 161.3
[M+CH3COO]- 262.072091 184.0
[M+Na-2H]- 224.032906 145.8
[M]+ 203.05769142 138.5
[M]- 203.05878858 138.5
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.