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

14
Patents

162.07932 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.086596 134.0
[M+Na]+ 185.068538 142.2
[M-H]- 161.072044 133.0
[M+NH4]+ 180.113143 151.9
[M+K]+ 201.042478 137.6
[M+H-H2O]+ 145.076580 127.4
[M+HCOO]- 207.077521 150.3
[M+CH3COO]- 221.093171 145.8
[M+Na-2H]- 183.053986 141.1
[M]+ 162.07877142 128.6
[M]- 162.07986858 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