CID 14328307

118136-71-3

Structural Information

Molecular Formula
C9H12N2O
SMILES
CC1=NC2=C(CCCC2)NC1=O
InChI
InChI=1S/C9H12N2O/c1-6-9(12)11-8-5-3-2-4-7(8)10-6/h2-5H2,1H3,(H,11,12)
InChIKey
BJDTUZNBSNKUPN-UHFFFAOYSA-N
Compound name
3-methyl-5,6,7,8-tetrahydro-1H-quinoxalin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

164.09496 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.102236 133.6
[M+Na]+ 187.084178 142.2
[M-H]- 163.087684 134.0
[M+NH4]+ 182.128783 152.2
[M+K]+ 203.058118 138.6
[M+H-H2O]+ 147.092220 126.7
[M+HCOO]- 209.093161 151.5
[M+CH3COO]- 223.108811 146.1
[M+Na-2H]- 185.069626 141.2
[M]+ 164.09441142 130.1
[M]- 164.09550858 130.1
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