CID 138176

Propane, 2,2'-[ethylidenebis(oxy)]bis-

Structural Information

Molecular Formula

C₈H₁₈O₂

SMILES

CC(C)OC(C)OC(C)C

InChI

InChI=1S/C8H18O2/c1-6(2)9-8(5)10-7(3)4/h6-8H,1-5H3

InChIKey

TWWSMHPNERSWRN-UHFFFAOYSA-N

Compound name

2-(1-propan-2-yloxyethoxy)propane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1079
Patents: 146.13068 Da
Monoisotopic Mass: 2.1
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]+	147.137956	134.8
[M+Na]+	169.119898	140.5
[M-H]-	145.123404	135.0
[M+NH4]+	164.164503	156.3
[M+K]+	185.093838	142.2
[M+H-H2O]+	129.127940	130.1
[M+HCOO]-	191.128881	155.5
[M+CH3COO]-	205.144531	179.8
[M+Na-2H]-	167.105346	137.1
[M]+	146.13013142	137.8
[M]-	146.13122858	137.8

Literature stripe

literature stripe

Patent stripe

patents stripe