CID 104602

2(1h)-quinolinone, 1-ethyl-6-methyl-

Structural Information

Molecular Formula
C12H13NO
SMILES
CCN1C2=C(C=CC1=O)C=C(C=C2)C
InChI
InChI=1S/C12H13NO/c1-3-13-11-6-4-9(2)8-10(11)5-7-12(13)14/h4-8H,3H2,1-2H3
InChIKey
DIVRPKANRVIGAX-UHFFFAOYSA-N
Compound name
1-ethyl-6-methylquinolin-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

5
Patents

187.09972 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.106996 137.9
[M+Na]+ 210.088938 148.7
[M-H]- 186.092444 141.9
[M+NH4]+ 205.133543 158.2
[M+K]+ 226.062878 145.0
[M+H-H2O]+ 170.096980 131.4
[M+HCOO]- 232.097921 160.5
[M+CH3COO]- 246.113571 185.1
[M+Na-2H]- 208.074386 145.8
[M]+ 187.09917142 140.1
[M]- 187.10026858 140.1
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