CID 40507920

Maltoryzine

Structural Information

Molecular Formula

C₁₁H₁₂O₄

SMILES

C/C=C/CC(=O)C1=C(C=CC(=C1O)O)O

InChI

InChI=1S/C11H12O4/c1-2-3-4-7(12)10-8(13)5-6-9(14)11(10)15/h2-3,5-6,13-15H,4H2,1H3/b3-2+

InChIKey

WGGOBKYQLMXALJ-NSCUHMNNSA-N

Compound name

(E)-1-(2,3,6-trihydroxyphenyl)pent-3-en-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 208.07356 Da
Monoisotopic Mass: 2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	209.08084	145.0
[M+Na]+	231.06278	156.0
[M+NH4]+	226.10738	150.9
[M+K]+	247.03672	151.7
[M-H]-	207.06628	144.2
[M+Na-2H]-	229.04823	148.3
[M]+	208.07301	146.0
[M]-	208.07411	146.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe