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
1
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]+ 208.06044 142.6
[M+Na]+ 230.04238 149.9
[M-H]- 206.04588 143.5
[M+NH4]+ 225.08698 159.5
[M+K]+ 246.01632 147.0
[M+H-H2O]+ 190.05042 136.9
[M+HCOO]- 252.05136 163.7
[M+CH3COO]- 266.06701 182.9
[M+Na-2H]- 228.02783 144.6
[M]+ 207.05261 140.4
[M]- 207.05371 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.