CID 79122

1,5-hexadien-3-ol

Structural Information

Molecular Formula

C₆H₁₀O

SMILES

C=CCC(C=C)O

InChI

InChI=1S/C6H10O/c1-3-5-6(7)4-2/h3-4,6-7H,1-2,5H2

InChIKey

SZYLTIUVWARXOO-UHFFFAOYSA-N

Compound name

hexa-1,5-dien-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 4958
Patents: 98.073166 Da
Monoisotopic Mass: 1.3
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]+	99.080442	119.7
[M+Na]+	121.06238	126.9
[M-H]-	97.065890	118.8
[M+NH4]+	116.10699	142.4
[M+K]+	137.03632	125.6
[M+H-H2O]+	81.070426	115.9
[M+HCOO]-	143.07137	141.7
[M+CH3COO]-	157.08702	165.4
[M+Na-2H]-	119.04783	125.2
[M]+	98.072617	118.5
[M]-	98.073715	118.5

Literature stripe

literature stripe

Patent stripe

patents stripe