CID 22598408

35149-12-3

Structural Information

Molecular Formula
C8H8N2O
SMILES
C1CC2=NC=CN=C2C(=O)C1
InChI
InChI=1S/C8H8N2O/c11-7-3-1-2-6-8(7)10-5-4-9-6/h4-5H,1-3H2
InChIKey
SPKOETCAQSHXTM-UHFFFAOYSA-N
Compound name
7,8-dihydro-6H-quinoxalin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

94
Patents

148.06366 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.070936 127.8
[M+Na]+ 171.052878 136.3
[M-H]- 147.056384 129.4
[M+NH4]+ 166.097483 147.4
[M+K]+ 187.026818 133.9
[M+H-H2O]+ 131.060920 120.5
[M+HCOO]- 193.061861 147.5
[M+CH3COO]- 207.077511 141.1
[M+Na-2H]- 169.038326 137.2
[M]+ 148.06311142 125.4
[M]- 148.06420858 125.4
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