CID 440982

3-hydroxy-2-methyl-1,4-dihydroquinolin-4-one

Structural Information

Molecular Formula
C10H9NO2
SMILES
CC1=C(C(=O)C2=CC=CC=C2N1)O
InChI
InChI=1S/C10H9NO2/c1-6-9(12)10(13)7-4-2-3-5-8(7)11-6/h2-5,12H,1H3,(H,11,13)
InChIKey
FSCXZVPPDJYLDD-UHFFFAOYSA-N
Compound name
3-hydroxy-2-methyl-1H-quinolin-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

12
References

26
Patents

175.06332 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.07060 133.3
[M+Na]+ 198.05254 144.0
[M-H]- 174.05604 134.9
[M+NH4]+ 193.09714 152.6
[M+K]+ 214.02648 139.6
[M+H-H2O]+ 158.06058 127.6
[M+HCOO]- 220.06152 153.8
[M+CH3COO]- 234.07717 176.0
[M+Na-2H]- 196.03799 141.3
[M]+ 175.06277 132.6
[M]- 175.06387 132.6
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