CID 9543057

(3e)-4-(5-amino-2-hydroxyphenyl)-2-oxobut-3-enoic acid

Structural Information

Molecular Formula
C10H9NO4
SMILES
C1=CC(=C(C=C1N)/C=C/C(=O)C(=O)O)O
InChI
InChI=1S/C10H9NO4/c11-7-2-4-8(12)6(5-7)1-3-9(13)10(14)15/h1-5,12H,11H2,(H,14,15)/b3-1+
InChIKey
BZGJCDWVAPDSDE-HNQUOIGGSA-N
Compound name
(E)-4-(5-amino-2-hydroxyphenyl)-2-oxobut-3-enoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

207.05316 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.060436 142.6
[M+Na]+ 230.042378 149.9
[M-H]- 206.045884 143.5
[M+NH4]+ 225.086983 159.5
[M+K]+ 246.016318 147.0
[M+H-H2O]+ 190.050420 136.9
[M+HCOO]- 252.051361 163.7
[M+CH3COO]- 266.067011 182.9
[M+Na-2H]- 228.027826 144.6
[M]+ 207.05261142 140.4
[M]- 207.05370858 140.4
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.