CID 11195186

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

Structural Information

Molecular Formula
C10H11ClN2O
SMILES
CC1(C(=O)NC2=C(N1)C=CC(=C2)Cl)C
InChI
InChI=1S/C10H11ClN2O/c1-10(2)9(14)12-8-5-6(11)3-4-7(8)13-10/h3-5,13H,1-2H3,(H,12,14)
InChIKey
JZBNICJDZHMAFK-UHFFFAOYSA-N
Compound name
7-chloro-3,3-dimethyl-1,4-dihydroquinoxalin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.05598 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.063256 143.2
[M+Na]+ 233.045198 153.6
[M-H]- 209.048704 142.6
[M+NH4]+ 228.089803 162.4
[M+K]+ 249.019138 147.4
[M+H-H2O]+ 193.053240 137.9
[M+HCOO]- 255.054181 154.6
[M+CH3COO]- 269.069831 155.0
[M+Na-2H]- 231.030646 149.7
[M]+ 210.05543142 140.8
[M]- 210.05652858 140.8
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.