CID 5281097

2-hydroxy-6-oxo-(2'-aminophenyl)-hexa-2e,4z-dienoate

Structural Information

Molecular Formula
C12H11NO4
SMILES
C1=CC=C(C(=C1)/C(=C/C=C/C(=O)C(=O)O)/O)N
InChI
InChI=1S/C12H11NO4/c13-9-5-2-1-4-8(9)10(14)6-3-7-11(15)12(16)17/h1-7,14H,13H2,(H,16,17)/b7-3+,10-6-
InChIKey
OHOFWYOLTJXLET-JSXJEZROSA-N
Compound name
(3E,5Z)-6-(2-aminophenyl)-6-hydroxy-2-oxohexa-3,5-dienoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

0
Patents

233.0688 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.07608 152.3
[M+Na]+ 256.05802 160.6
[M+NH4]+ 251.10262 156.8
[M+K]+ 272.03196 157.5
[M-H]- 232.06152 150.9
[M+Na-2H]- 254.04347 154.6
[M]+ 233.06825 152.4
[M]- 233.06935 152.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.