CID 13369754

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

Structural Information

Molecular Formula
C11H11NO2
SMILES
CC(=O)C1=CC2=C(C=C1)NC(=O)CC2
InChI
InChI=1S/C11H11NO2/c1-7(13)8-2-4-10-9(6-8)3-5-11(14)12-10/h2,4,6H,3,5H2,1H3,(H,12,14)
InChIKey
FXPPYJRCOQZMIL-UHFFFAOYSA-N
Compound name
6-acetyl-3,4-dihydro-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

189.07898 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.086256 138.9
[M+Na]+ 212.068198 146.5
[M-H]- 188.071704 140.6
[M+NH4]+ 207.112803 157.6
[M+K]+ 228.042138 143.1
[M+H-H2O]+ 172.076240 132.6
[M+HCOO]- 234.077181 156.8
[M+CH3COO]- 248.092831 181.0
[M+Na-2H]- 210.053646 144.3
[M]+ 189.07843142 135.7
[M]- 189.07952858 135.7
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