CID 595203

3,3-dimethyl-1,2,3,4-tetrahydroquinoxalin-2-one

Structural Information

Molecular Formula
C10H12N2O
SMILES
CC1(C(=O)NC2=CC=CC=C2N1)C
InChI
InChI=1S/C10H12N2O/c1-10(2)9(13)11-7-5-3-4-6-8(7)12-10/h3-6,12H,1-2H3,(H,11,13)
InChIKey
RDKNTOVJVFYGPA-UHFFFAOYSA-N
Compound name
3,3-dimethyl-1,4-dihydroquinoxalin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

100
Patents

176.09496 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.10224 138.7
[M+Na]+ 199.08418 147.5
[M-H]- 175.08768 138.0
[M+NH4]+ 194.12878 158.1
[M+K]+ 215.05812 143.0
[M+H-H2O]+ 159.09222 132.4
[M+HCOO]- 221.09316 154.7
[M+CH3COO]- 235.10881 150.5
[M+Na-2H]- 197.06963 146.3
[M]+ 176.09441 134.0
[M]- 176.09551 134.0
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

No patent data available for this compound.