CID 14042

1,5-hexadiene-3,4-diol

Structural Information

Molecular Formula

C₆H₁₀O₂

SMILES

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

InChI

InChI=1S/C6H10O2/c1-3-5(7)6(8)4-2/h3-8H,1-2H2

InChIKey

KUQWZSZYIQGTHT-UHFFFAOYSA-N

Compound name

hexa-1,5-diene-3,4-diol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 3
References: 6464
Patents: 114.06808 Da
Monoisotopic Mass: 0.2
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]+	115.07536	124.5
[M+Na]+	137.05730	133.4
[M+NH4]+	132.10190	131.2
[M+K]+	153.03124	129.5
[M-H]-	113.06080	122.1
[M+Na-2H]-	135.04275	126.4
[M]+	114.06753	124.6
[M]-	114.06863	124.6

Literature stripe

literature stripe

Patent stripe

patents stripe