CID 3082018

1,3-hexadien-1-ol

Structural Information

Molecular Formula

C₆H₁₀O

SMILES

CCC=CC=CO

InChI

InChI=1S/C6H10O/c1-2-3-4-5-6-7/h3-7H,2H2,1H3

InChIKey

ZVSONHCDFQDFNN-UHFFFAOYSA-N

Compound name

hexa-1,3-dien-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 471
Patents: 98.073166 Da
Monoisotopic Mass: 1.8
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]+	121.062384	127.3
[M-H]-	97.065890	118.8
[M+NH4]+	116.106989	142.7
[M+K]+	137.036324	125.6
[M+H-H2O]+	81.070426	116.0
[M+HCOO]-	143.071367	142.7
[M+CH3COO]-	157.087017	163.3
[M+Na-2H]-	119.047832	126.5
[M]+	98.07261742	119.0
[M]-	98.07371458	119.0

Literature stripe

literature stripe

Patent stripe

patents stripe