CID 56184

6-acetyl-2,3-dihydro-alpha-methyl-3-oxo-4h-1,4-benzoxazine-4-acetic acid

Structural Information

Molecular Formula
C13H13NO5
SMILES
CC(C(=O)O)N1C(=O)COC2=C1C=C(C=C2)C(=O)C
InChI
InChI=1S/C13H13NO5/c1-7(13(17)18)14-10-5-9(8(2)15)3-4-11(10)19-6-12(14)16/h3-5,7H,6H2,1-2H3,(H,17,18)
InChIKey
GCDTUDIFXGRFCU-UHFFFAOYSA-N
Compound name
2-(6-acetyl-3-oxo-1,4-benzoxazin-4-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.07938 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.08666 156.0
[M+Na]+ 286.06860 166.7
[M+NH4]+ 281.11320 161.4
[M+K]+ 302.04254 163.9
[M-H]- 262.07210 156.3
[M+Na-2H]- 284.05405 157.7
[M]+ 263.07883 157.2
[M]- 263.07993 157.2
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.