CID 13665494

105807-79-2

Structural Information

Molecular Formula
C9H10N2O2
SMILES
CC1C(=O)NC2=C(O1)C=C(C=C2)N
InChI
InChI=1S/C9H10N2O2/c1-5-9(12)11-7-3-2-6(10)4-8(7)13-5/h2-5H,10H2,1H3,(H,11,12)
InChIKey
TVSVYAABMPJFIR-UHFFFAOYSA-N
Compound name
7-amino-2-methyl-4H-1,4-benzoxazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

178.07423 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.08151 136.4
[M+Na]+ 201.06345 145.2
[M-H]- 177.06695 138.8
[M+NH4]+ 196.10805 154.1
[M+K]+ 217.03739 142.8
[M+H-H2O]+ 161.07149 130.1
[M+HCOO]- 223.07243 155.2
[M+CH3COO]- 237.08808 180.6
[M+Na-2H]- 199.04890 143.4
[M]+ 178.07368 133.2
[M]- 178.07478 133.2
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