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

140
Patents

176.05858 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.065856 133.3
[M+Na]+ 199.047798 144.6
[M-H]- 175.051304 137.9
[M+NH4]+ 194.092403 152.1
[M+K]+ 215.021738 142.7
[M+H-H2O]+ 159.055840 126.7
[M+HCOO]- 221.056781 156.6
[M+CH3COO]- 235.072431 182.4
[M+Na-2H]- 197.033246 142.7
[M]+ 176.05803142 134.8
[M]- 176.05912858 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