CID 12613663

1-methoxy-1-pentyloxyethane

Structural Information

Molecular Formula

C₈H₁₈O₂

SMILES

CCCCCOC(C)OC

InChI

InChI=1S/C8H18O2/c1-4-5-6-7-10-8(2)9-3/h8H,4-7H2,1-3H3

InChIKey

DSXZWFNXPOIWEO-UHFFFAOYSA-N

Compound name

1-(1-methoxyethoxy)pentane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
Patents: 146.13068 Da
Monoisotopic Mass: 2.3
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	134.5
[M+Na]+	169.119898	140.7
[M-H]-	145.123404	134.6
[M+NH4]+	164.164503	156.2
[M+K]+	185.093838	141.5
[M+H-H2O]+	129.127940	129.7
[M+HCOO]-	191.128881	157.2
[M+CH3COO]-	205.144531	178.1
[M+Na-2H]-	167.105346	139.3
[M]+	146.13013142	138.9
[M]-	146.13122858	138.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe