CID 14476552

6-acetyl-1-methyl-1,2,3,4-tetrahydroquinolin-2-one

Structural Information

Molecular Formula
C12H13NO2
SMILES
CC(=O)C1=CC2=C(C=C1)N(C(=O)CC2)C
InChI
InChI=1S/C12H13NO2/c1-8(14)9-3-5-11-10(7-9)4-6-12(15)13(11)2/h3,5,7H,4,6H2,1-2H3
InChIKey
BCUZEZZKMXBBCT-UHFFFAOYSA-N
Compound name
6-acetyl-1-methyl-3,4-dihydroquinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

203.09464 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.101916 142.3
[M+Na]+ 226.083858 150.9
[M-H]- 202.087364 145.6
[M+NH4]+ 221.128463 161.5
[M+K]+ 242.057798 148.1
[M+H-H2O]+ 186.091900 135.8
[M+HCOO]- 248.092841 161.4
[M+CH3COO]- 262.108491 187.8
[M+Na-2H]- 224.069306 147.1
[M]+ 203.09409142 141.8
[M]- 203.09518858 141.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe