CID 11182936

217196-94-6

Structural Information

Molecular Formula
C9H8N2O2
SMILES
CC1=NOC(=O)C2=C1C=C(C=C2)N
InChI
InChI=1S/C9H8N2O2/c1-5-8-4-6(10)2-3-7(8)9(12)13-11-5/h2-4H,10H2,1H3
InChIKey
JEONCVFTVUCPGE-UHFFFAOYSA-N
Compound name
6-amino-4-methyl-2,3-benzoxazin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

97
Patents

176.05858 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.06586 133.3
[M+Na]+ 199.04780 144.6
[M-H]- 175.05130 137.9
[M+NH4]+ 194.09240 152.1
[M+K]+ 215.02174 142.7
[M+H-H2O]+ 159.05584 126.7
[M+HCOO]- 221.05678 156.6
[M+CH3COO]- 235.07243 182.4
[M+Na-2H]- 197.03325 142.7
[M]+ 176.05803 134.8
[M]- 176.05913 134.8
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

patents stripe