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]+ 205.09715 144.4
[M+Na]+ 227.07909 152.1
[M-H]- 203.08259 144.6
[M+NH4]+ 222.12369 161.2
[M+K]+ 243.05303 148.5
[M+H-H2O]+ 187.08713 137.2
[M+HCOO]- 249.08807 161.0
[M+CH3COO]- 263.10372 183.2
[M+Na-2H]- 225.06454 149.8
[M]+ 204.08932 141.7
[M]- 204.09042 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.