CID 54695768

3,4-dihydroxy-1-methylquinolin-2(1h)-one

Structural Information

Molecular Formula
C10H9NO3
SMILES
CN1C2=CC=CC=C2C(=C(C1=O)O)O
InChI
InChI=1S/C10H9NO3/c1-11-7-5-3-2-4-6(7)8(12)9(13)10(11)14/h2-5,12-13H,1H3
InChIKey
BDLJEQMXDNMETQ-UHFFFAOYSA-N
Compound name
3,4-dihydroxy-1-methylquinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

191.05824 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.06552 136.3
[M+Na]+ 214.04746 147.7
[M-H]- 190.05096 138.2
[M+NH4]+ 209.09206 155.1
[M+K]+ 230.02140 144.0
[M+H-H2O]+ 174.05550 130.6
[M+HCOO]- 236.05644 156.9
[M+CH3COO]- 250.07209 179.5
[M+Na-2H]- 212.03291 143.5
[M]+ 191.05769 137.4
[M]- 191.05879 137.4
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

patents stripe