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

3
Patents

178.07423 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.081506 136.4
[M+Na]+ 201.063448 145.2
[M-H]- 177.066954 138.8
[M+NH4]+ 196.108053 154.1
[M+K]+ 217.037388 142.8
[M+H-H2O]+ 161.071490 130.1
[M+HCOO]- 223.072431 155.2
[M+CH3COO]- 237.088081 180.6
[M+Na-2H]- 199.048896 143.4
[M]+ 178.07368142 133.2
[M]- 178.07477858 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