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 151.4
[M+Na]+ 256.05802 157.0
[M-H]- 232.06152 151.7
[M+NH4]+ 251.10262 166.9
[M+K]+ 272.03196 153.5
[M+H-H2O]+ 216.06606 145.3
[M+HCOO]- 278.06700 171.0
[M+CH3COO]- 292.08265 187.2
[M+Na-2H]- 254.04347 151.8
[M]+ 233.06825 148.1
[M]- 233.06935 148.1
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.