CID 56180

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

Structural Information

Molecular Formula
C12H11NO5
SMILES
CC(=O)C1=CC2=C(C=C1)OCC(=O)N2CC(=O)O
InChI
InChI=1S/C12H11NO5/c1-7(14)8-2-3-10-9(4-8)13(5-12(16)17)11(15)6-18-10/h2-4H,5-6H2,1H3,(H,16,17)
InChIKey
HGSUZDHHTKSDHN-UHFFFAOYSA-N
Compound name
2-(6-acetyl-3-oxo-1,4-benzoxazin-4-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

249.06372 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.07100 150.5
[M+Na]+ 272.05294 158.4
[M-H]- 248.05644 153.1
[M+NH4]+ 267.09754 165.3
[M+K]+ 288.02688 157.4
[M+H-H2O]+ 232.06098 143.8
[M+HCOO]- 294.06192 166.9
[M+CH3COO]- 308.07757 192.3
[M+Na-2H]- 270.03839 154.6
[M]+ 249.06317 151.8
[M]- 249.06427 151.8
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