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]+ 192.065516 137.1
[M+Na]+ 214.047458 148.1
[M-H]- 190.050964 137.6
[M+NH4]+ 209.092063 155.2
[M+K]+ 230.021398 143.5
[M+H-H2O]+ 174.055500 131.6
[M+HCOO]- 236.056441 156.1
[M+CH3COO]- 250.072091 177.1
[M+Na-2H]- 212.032906 143.8
[M]+ 191.05769142 136.4
[M]- 191.05878858 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.