CID 24208316

(2e)-3-(3-oxo-3,4-dihydro-2h-1,4-benzoxazin-6-yl)prop-2-enoic acid

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 144.6
[M+Na]+ 242.04238 152.1
[M-H]- 218.04588 145.6
[M+NH4]+ 237.08698 159.9
[M+K]+ 258.01632 149.2
[M+H-H2O]+ 202.05042 138.2
[M+HCOO]- 264.05136 160.7
[M+CH3COO]- 278.06701 181.7
[M+Na-2H]- 240.02783 150.5
[M]+ 219.05261 142.4
[M]- 219.05371 142.4
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.