CID 16205686

Brn 4476418

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]+ 235.10773 150.5
[M+Na]+ 257.08967 158.7
[M-H]- 233.09317 155.7
[M+NH4]+ 252.13427 167.4
[M+K]+ 273.06361 158.2
[M+H-H2O]+ 217.09771 142.9
[M+HCOO]- 279.09865 171.4
[M+CH3COO]- 293.11430 196.9
[M+Na-2H]- 255.07512 156.8
[M]+ 234.09990 153.0
[M]- 234.10100 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.