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]+ 220.060436 144.6
[M+Na]+ 242.042378 152.1
[M-H]- 218.045884 145.6
[M+NH4]+ 237.086983 159.9
[M+K]+ 258.016318 149.2
[M+H-H2O]+ 202.050420 138.2
[M+HCOO]- 264.051361 160.7
[M+CH3COO]- 278.067011 181.7
[M+Na-2H]- 240.027826 150.5
[M]+ 219.05261142 142.4
[M]- 219.05370858 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.