CID 264153

1-(3-hydroxy-quinoxalin-2-yl)-propan-2-one

Structural Information

Molecular Formula
C11H10N2O2
SMILES
CC(=O)CC1=NC2=CC=CC=C2NC1=O
InChI
InChI=1S/C11H10N2O2/c1-7(14)6-10-11(15)13-9-5-3-2-4-8(9)12-10/h2-5H,6H2,1H3,(H,13,15)
InChIKey
UVTUSDIBTPDTDI-UHFFFAOYSA-N
Compound name
3-(2-oxopropyl)-1H-quinoxalin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

202.07423 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.08151 141.5
[M+Na]+ 225.06345 151.2
[M-H]- 201.06695 142.5
[M+NH4]+ 220.10805 158.5
[M+K]+ 241.03739 147.1
[M+H-H2O]+ 185.07149 134.3
[M+HCOO]- 247.07243 161.0
[M+CH3COO]- 261.08808 183.2
[M+Na-2H]- 223.04890 149.0
[M]+ 202.07368 141.7
[M]- 202.07478 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

patents stripe