CID 5314828

(3e)-hexa-3,5-dien-1-ol

Structural Information

Molecular Formula

C₆H₁₀O

SMILES

C=C/C=C/CCO

InChI

InChI=1S/C6H10O/c1-2-3-4-5-6-7/h2-4,7H,1,5-6H2/b4-3+

InChIKey

SAXBDVYNGGCITG-ONEGZZNKSA-N

Compound name

(3E)-hexa-3,5-dien-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 74
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	119.5
[M+Na]+	121.06238	127.0
[M-H]-	97.065890	118.6
[M+NH4]+	116.10699	142.4
[M+K]+	137.03632	125.3
[M+H-H2O]+	81.070426	115.7
[M+HCOO]-	143.07137	142.5
[M+CH3COO]-	157.08702	164.0
[M+Na-2H]-	119.04783	126.3
[M]+	98.072617	118.9
[M]-	98.073715	118.9

Literature stripe

literature stripe

Patent stripe

patents stripe