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	131.4
[M+Na]+	169.04712	136.5
[M-H]-	145.05062	126.2
[M+NH4]+	164.09172	149.5
[M+K]+	185.02106	135.2
[M+H-H2O]+	129.05516	127.5
[M+HCOO]-	191.05610	146.4
[M+CH3COO]-	205.07175	166.9
[M+Na-2H]-	167.03257	131.1
[M]+	146.05735	126.7
[M]-	146.05845	126.7

Literature stripe

literature stripe

Patent stripe

patents stripe