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]+ 204.10192 142.3
[M+Na]+ 226.08386 150.9
[M-H]- 202.08736 145.6
[M+NH4]+ 221.12846 161.5
[M+K]+ 242.05780 148.1
[M+H-H2O]+ 186.09190 135.8
[M+HCOO]- 248.09284 161.4
[M+CH3COO]- 262.10849 187.8
[M+Na-2H]- 224.06931 147.1
[M]+ 203.09409 141.8
[M]- 203.09519 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