CID 13204952

6-methoxy-3,4-dihydro-2h-1,4-benzoxazin-3-one

Structural Information

Molecular Formula
C9H9NO3
SMILES
COC1=CC2=C(C=C1)OCC(=O)N2
InChI
InChI=1S/C9H9NO3/c1-12-6-2-3-8-7(4-6)10-9(11)5-13-8/h2-4H,5H2,1H3,(H,10,11)
InChIKey
YWGRZAGXNFIQBO-UHFFFAOYSA-N
Compound name
6-methoxy-4H-1,4-benzoxazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

126
Patents

179.05824 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.065516 133.9
[M+Na]+ 202.047458 142.5
[M-H]- 178.050964 136.5
[M+NH4]+ 197.092063 151.9
[M+K]+ 218.021398 141.1
[M+H-H2O]+ 162.055500 127.5
[M+HCOO]- 224.056441 152.6
[M+CH3COO]- 238.072091 177.1
[M+Na-2H]- 200.032906 142.5
[M]+ 179.05769142 133.5
[M]- 179.05878858 133.5
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