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]+ 180.06552 133.9
[M+Na]+ 202.04746 143.5
[M-H]- 178.05096 133.8
[M+NH4]+ 197.09206 152.1
[M+K]+ 218.02140 139.2
[M+H-H2O]+ 162.05550 128.4
[M+HCOO]- 224.05644 151.9
[M+CH3COO]- 238.07209 173.2
[M+Na-2H]- 200.03291 141.0
[M]+ 179.05769 131.0
[M]- 179.05879 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.