CID 264189

Allyl n-hexyl ether

Structural Information

Molecular Formula

C₉H₁₈O

SMILES

CCCCCCOCC=C

InChI

InChI=1S/C9H18O/c1-3-5-6-7-9-10-8-4-2/h4H,2-3,5-9H2,1H3

InChIKey

SNUXIIWZWKDULZ-UHFFFAOYSA-N

Compound name

1-prop-2-enoxyhexane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 391
Patents: 142.13577 Da
Monoisotopic Mass: 3.1
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]+	143.14305	133.5
[M+Na]+	165.12499	144.1
[M+NH4]+	160.16959	141.7
[M+K]+	181.09893	136.9
[M-H]-	141.12849	133.4
[M+Na-2H]-	163.11044	137.4
[M]+	142.13522	134.8
[M]-	142.13632	134.8

Literature stripe

literature stripe

Patent stripe

patents stripe