CID 8104

Hexa-2,4-dien-1-ol

Structural Information

Molecular Formula

C₆H₁₀O

SMILES

CC=CC=CCO

InChI

InChI=1S/C6H10O/c1-2-3-4-5-6-7/h2-5,7H,6H2,1H3

InChIKey

MEIRRNXMZYDVDW-UHFFFAOYSA-N

Compound name

hexa-2,4-dien-1-ol

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 13
References: 57817
Patents: 98.073166 Da
Monoisotopic Mass: 1.1
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	127.3
[M-H]-	97.065890	118.8
[M+NH4]+	116.10699	142.7
[M+K]+	137.03632	125.6
[M+H-H2O]+	81.070426	116.0
[M+HCOO]-	143.07137	142.7
[M+CH3COO]-	157.08702	163.3
[M+Na-2H]-	119.04783	126.5
[M]+	98.072617	119.0
[M]-	98.073715	119.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.