CID 53428150

13442-92-7

Structural Information

Molecular Formula

C₁₂H₂₆O₂

SMILES

CCCCCOC(C)OCCC(C)C

InChI

InChI=1S/C12H26O2/c1-5-6-7-9-13-12(4)14-10-8-11(2)3/h11-12H,5-10H2,1-4H3

InChIKey

ZDXAJQYVODZHIO-UHFFFAOYSA-N

Compound name

1-[1-(3-methylbutoxy)ethoxy]pentane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 202.19328 Da
Monoisotopic Mass: 3.9
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]+	203.20056	153.7
[M+Na]+	225.18250	158.0
[M-H]-	201.18600	153.0
[M+NH4]+	220.22710	173.0
[M+K]+	241.15644	158.1
[M+H-H2O]+	185.19054	148.1
[M+HCOO]-	247.19148	174.0
[M+CH3COO]-	261.20713	191.0
[M+Na-2H]-	223.16795	155.0
[M]+	202.19273	158.9
[M]-	202.19383	158.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.