CID 2764460

7-amino-4-methyl-3,4-dihydro-2h-1,4-benzoxazin-3-one

Structural Information

Molecular Formula
C9H10N2O2
SMILES
CN1C(=O)COC2=C1C=CC(=C2)N
InChI
InChI=1S/C9H10N2O2/c1-11-7-3-2-6(10)4-8(7)13-5-9(11)12/h2-4H,5,10H2,1H3
InChIKey
JVYJTIARQJQCKK-UHFFFAOYSA-N
Compound name
7-amino-4-methyl-1,4-benzoxazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

247
Patents

178.07423 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.08151 135.7
[M+Na]+ 201.06345 144.9
[M-H]- 177.06695 139.5
[M+NH4]+ 196.10805 154.2
[M+K]+ 217.03739 143.4
[M+H-H2O]+ 161.07149 129.1
[M+HCOO]- 223.07243 156.1
[M+CH3COO]- 237.08808 183.0
[M+Na-2H]- 199.04890 143.2
[M]+ 178.07368 134.4
[M]- 178.07478 134.4
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