CID 11412552

6-methyl-1,2,3,4-tetrahydroquinoxalin-2-one

Structural Information

Molecular Formula
C9H10N2O
SMILES
CC1=CC2=C(C=C1)NC(=O)CN2
InChI
InChI=1S/C9H10N2O/c1-6-2-3-7-8(4-6)10-5-9(12)11-7/h2-4,10H,5H2,1H3,(H,11,12)
InChIKey
FLHYWKXOCOAFLT-UHFFFAOYSA-N
Compound name
6-methyl-3,4-dihydro-1H-quinoxalin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

162.07932 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.08660 134.0
[M+Na]+ 185.06854 142.2
[M-H]- 161.07204 133.0
[M+NH4]+ 180.11314 151.9
[M+K]+ 201.04248 137.6
[M+H-H2O]+ 145.07658 127.4
[M+HCOO]- 207.07752 150.3
[M+CH3COO]- 221.09317 145.8
[M+Na-2H]- 183.05399 141.1
[M]+ 162.07877 128.6
[M]- 162.07987 128.6
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