CID 520600

Allyl n-octyl ether

Structural Information

Molecular Formula

C₁₁H₂₂O

SMILES

CCCCCCCCOCC=C

InChI

InChI=1S/C11H22O/c1-3-5-6-7-8-9-11-12-10-4-2/h4H,2-3,5-11H2,1H3

InChIKey

IELYMBBIHQDONA-UHFFFAOYSA-N

Compound name

1-prop-2-enoxyoctane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 291
Patents: 170.16707 Da
Monoisotopic Mass: 4.1
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]+	171.174346	143.1
[M+Na]+	193.156288	148.6
[M-H]-	169.159794	142.6
[M+NH4]+	188.200893	163.9
[M+K]+	209.130228	147.1
[M+H-H2O]+	153.164330	137.9
[M+HCOO]-	215.165271	165.8
[M+CH3COO]-	229.180921	183.6
[M+Na-2H]-	191.141736	147.7
[M]+	170.16652142	147.1
[M]-	170.16761858	147.1

Literature stripe

literature stripe

Patent stripe

patents stripe