CID 16205686

91119-46-9

Structural Information

Molecular Formula
C12H14N2O3
SMILES
C/C(=N\OC)/C1=CC2=C(C=C1)OCC(=O)N2C
InChI
InChI=1S/C12H14N2O3/c1-8(13-16-3)9-4-5-11-10(6-9)14(2)12(15)7-17-11/h4-6H,7H2,1-3H3/b13-8+
InChIKey
JOIDHKFPDNHDTA-MDWZMJQESA-N
Compound name
6-[(E)-N-methoxy-C-methylcarbonimidoyl]-4-methyl-1,4-benzoxazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.10045 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.107726 150.5
[M+Na]+ 257.089668 158.7
[M-H]- 233.093174 155.7
[M+NH4]+ 252.134273 167.4
[M+K]+ 273.063608 158.2
[M+H-H2O]+ 217.097710 142.9
[M+HCOO]- 279.098651 171.4
[M+CH3COO]- 293.114301 196.9
[M+Na-2H]- 255.075116 156.8
[M]+ 234.09990142 153.0
[M]- 234.10099858 153.0
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

No patent data available for this compound.