CID 6434005

2-(2,4-hexadienyloxy)ethanol

Structural Information

Molecular Formula

C₈H₁₄O₂

SMILES

C/C=C/C=C/COCCO

InChI

InChI=1S/C8H14O2/c1-2-3-4-5-7-10-8-6-9/h2-5,9H,6-8H2,1H3/b3-2+,5-4+

InChIKey

VRGCOYSTBBFIAO-MQQKCMAXSA-N

Compound name

2-[(2E,4E)-hexa-2,4-dienoxy]ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 142.09938 Da
Monoisotopic Mass: 0.9
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]+	143.106656	132.0
[M+Na]+	165.088598	138.8
[M-H]-	141.092104	130.7
[M+NH4]+	160.133203	153.2
[M+K]+	181.062538	136.9
[M+H-H2O]+	125.096640	127.6
[M+HCOO]-	187.097581	154.6
[M+CH3COO]-	201.113231	171.3
[M+Na-2H]-	163.074046	137.6
[M]+	142.09883142	133.5
[M]-	142.09992858	133.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe