CID 5460068

5,6-dihydroxy-3-methyl-2-oxo-1,2-dihydroquinoline

Structural Information

Molecular Formula
C10H9NO3
SMILES
CC1=CC2=C(C=CC(=C2O)O)NC1=O
InChI
InChI=1S/C10H9NO3/c1-5-4-6-7(11-10(5)14)2-3-8(12)9(6)13/h2-4,12-13H,1H3,(H,11,14)
InChIKey
IYHQVDIUZANYNW-UHFFFAOYSA-N
Compound name
5,6-dihydroxy-3-methyl-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

191.05824 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.06552 137.1
[M+Na]+ 214.04746 148.1
[M-H]- 190.05096 137.6
[M+NH4]+ 209.09206 155.2
[M+K]+ 230.02140 143.5
[M+H-H2O]+ 174.05550 131.6
[M+HCOO]- 236.05644 156.1
[M+CH3COO]- 250.07209 177.1
[M+Na-2H]- 212.03291 143.8
[M]+ 191.05769 136.4
[M]- 191.05879 136.4
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.