CID 12743

Dipentyl ether

Structural Information

Molecular Formula

C₁₀H₂₂O

SMILES

CCCCCOCCCCC

InChI

InChI=1S/C10H22O/c1-3-5-7-9-11-10-8-6-4-2/h3-10H2,1-2H3

InChIKey

AOPDRZXCEAKHHW-UHFFFAOYSA-N

Compound name

1-pentoxypentane

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 14
References: 38533
Patents: 158.16707 Da
Monoisotopic Mass: 3.7
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]+	159.17435	138.6
[M+Na]+	181.15629	148.9
[M+NH4]+	176.20089	146.8
[M+K]+	197.13023	141.6
[M-H]-	157.15979	138.7
[M+Na-2H]-	179.14174	142.4
[M]+	158.16652	140.0
[M]-	158.16762	140.0

Literature stripe

literature stripe

Patent stripe

patents stripe