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

81
Patents

148.06366 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.07094 127.8
[M+Na]+ 171.05288 136.3
[M-H]- 147.05638 129.4
[M+NH4]+ 166.09748 147.4
[M+K]+ 187.02682 133.9
[M+H-H2O]+ 131.06092 120.5
[M+HCOO]- 193.06186 147.5
[M+CH3COO]- 207.07751 141.1
[M+Na-2H]- 169.03833 137.2
[M]+ 148.06311 125.4
[M]- 148.06421 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