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

98
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

literature stripe

Patent stripe

patents stripe