CID 24208316

956076-67-8

Structural Information

Molecular Formula
C11H9NO4
SMILES
C1C(=O)NC2=C(O1)C=CC(=C2)/C=C/C(=O)O
InChI
InChI=1S/C11H9NO4/c13-10-6-16-9-3-1-7(2-4-11(14)15)5-8(9)12-10/h1-5H,6H2,(H,12,13)(H,14,15)/b4-2+
InChIKey
ONYVPMSGIUUCOL-DUXPYHPUSA-N
Compound name
(E)-3-(3-oxo-4H-1,4-benzoxazin-6-yl)prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.05316 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.06044 146.1
[M+Na]+ 242.04238 157.5
[M+NH4]+ 237.08698 152.3
[M+K]+ 258.01632 153.0
[M-H]- 218.04588 146.8
[M+Na-2H]- 240.02783 148.9
[M]+ 219.05261 147.5
[M]- 219.05371 147.5
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

No patent data available for this compound.