CID 2764463

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

2
References

207
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

literature stripe

Patent stripe

patents stripe