CID 440984

5,6-dihydroquinoline-2,5,6-triol

Structural Information

Molecular Formula
C9H9NO3
SMILES
C1=CC2=C(C=CC(=O)N2)C(C1O)O
InChI
InChI=1S/C9H9NO3/c11-7-3-2-6-5(9(7)13)1-4-8(12)10-6/h1-4,7,9,11,13H,(H,10,12)
InChIKey
HPQLNKXDNOVXAK-UHFFFAOYSA-N
Compound name
5,6-dihydroxy-5,6-dihydro-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

179.05824 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.065516 133.9
[M+Na]+ 202.047458 143.5
[M-H]- 178.050964 133.8
[M+NH4]+ 197.092063 152.1
[M+K]+ 218.021398 139.2
[M+H-H2O]+ 162.055500 128.4
[M+HCOO]- 224.056441 151.9
[M+CH3COO]- 238.072091 173.2
[M+Na-2H]- 200.032906 141.0
[M]+ 179.05769142 131.0
[M]- 179.05878858 131.0
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.