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

18
Patents

189.07898 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.08626 138.9
[M+Na]+ 212.06820 146.5
[M-H]- 188.07170 140.6
[M+NH4]+ 207.11280 157.6
[M+K]+ 228.04214 143.1
[M+H-H2O]+ 172.07624 132.6
[M+HCOO]- 234.07718 156.8
[M+CH3COO]- 248.09283 181.0
[M+Na-2H]- 210.05365 144.3
[M]+ 189.07843 135.7
[M]- 189.07953 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