CID 29853

Dadm

Structural Information

Molecular Formula

C₆H₁₀O₄

SMILES

C=C(C(C(C(=C)O)O)O)O

InChI

InChI=1S/C6H10O4/c1-3(7)5(9)6(10)4(2)8/h5-10H,1-2H2

InChIKey

PICUSLXKOFIWAJ-UHFFFAOYSA-N

Compound name

hexa-1,5-diene-2,3,4,5-tetrol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 11
References: 4
Patents: 146.0579 Da
Monoisotopic Mass: -0.9
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]+	147.06518	131.5
[M+Na]+	169.04712	137.7
[M+NH4]+	164.09172	136.0
[M+K]+	185.02106	137.1
[M-H]-	145.05062	126.5
[M+Na-2H]-	167.03257	130.5
[M]+	146.05735	130.2
[M]-	146.05845	130.2

Literature stripe

literature stripe

Patent stripe

patents stripe