CID 54677846

2,3,4-quinolinetriol

Structural Information

Molecular Formula
C9H7NO3
SMILES
C1=CC=C2C(=C1)C(=C(C(=O)N2)O)O
InChI
InChI=1S/C9H7NO3/c11-7-5-3-1-2-4-6(5)10-9(13)8(7)12/h1-4,12H,(H2,10,11,13)
InChIKey
MJORMRFQFZHIGF-UHFFFAOYSA-N
Compound name
3,4-dihydroxy-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

174
Patents

177.04259 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.04987 132.4
[M+Na]+ 200.03181 143.0
[M-H]- 176.03531 132.7
[M+NH4]+ 195.07641 150.8
[M+K]+ 216.00575 138.5
[M+H-H2O]+ 160.03985 126.9
[M+HCOO]- 222.04079 151.9
[M+CH3COO]- 236.05644 172.8
[M+Na-2H]- 198.01726 140.5
[M]+ 177.04204 131.0
[M]- 177.04314 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

patents stripe