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: 403
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	120.6
[M+Na]+	121.06238	130.9
[M+NH4]+	116.10699	128.4
[M+K]+	137.03632	125.4
[M-H]-	97.065890	119.6
[M+Na-2H]-	119.04783	124.1
[M]+	98.072617	121.5
[M]-	98.073715	121.5

Literature stripe

literature stripe

Patent stripe

patents stripe