CID 8551010

4-propanoyl-1,2,3,4-tetrahydroquinoxalin-2-one

Structural Information

Molecular Formula
C11H12N2O2
SMILES
CCC(=O)N1CC(=O)NC2=CC=CC=C21
InChI
InChI=1S/C11H12N2O2/c1-2-11(15)13-7-10(14)12-8-5-3-4-6-9(8)13/h3-6H,2,7H2,1H3,(H,12,14)
InChIKey
YCDLZRNCWDUXPK-UHFFFAOYSA-N
Compound name
4-propanoyl-1,3-dihydroquinoxalin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

204.08987 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.097146 144.4
[M+Na]+ 227.079088 152.1
[M-H]- 203.082594 144.6
[M+NH4]+ 222.123693 161.2
[M+K]+ 243.053028 148.5
[M+H-H2O]+ 187.087130 137.2
[M+HCOO]- 249.088071 161.0
[M+CH3COO]- 263.103721 183.2
[M+Na-2H]- 225.064536 149.8
[M]+ 204.08932142 141.7
[M]- 204.09041858 141.7
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

No patent data available for this compound.