CID 599120

3-ethyl-2-methylquinolin-4-ol

Structural Information

Molecular Formula
C12H13NO
SMILES
CCC1=C(NC2=CC=CC=C2C1=O)C
InChI
InChI=1S/C12H13NO/c1-3-9-8(2)13-11-7-5-4-6-10(11)12(9)14/h4-7H,3H2,1-2H3,(H,13,14)
InChIKey
UUDYPKCYYIOUJD-UHFFFAOYSA-N
Compound name
3-ethyl-2-methyl-1H-quinolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

2
Patents

187.09972 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.10700 138.7
[M+Na]+ 210.08894 149.0
[M-H]- 186.09244 141.2
[M+NH4]+ 205.13354 158.3
[M+K]+ 226.06288 144.4
[M+H-H2O]+ 170.09698 132.5
[M+HCOO]- 232.09792 159.8
[M+CH3COO]- 246.11357 182.5
[M+Na-2H]- 208.07439 146.0
[M]+ 187.09917 139.0
[M]- 187.10027 139.0
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