CID 79117

1-(1-butoxyethoxy)butane

Structural Information

Molecular Formula

C₁₀H₂₂O₂

SMILES

CCCCOC(C)OCCCC

InChI

InChI=1S/C10H22O2/c1-4-6-8-11-10(3)12-9-7-5-2/h10H,4-9H2,1-3H3

InChIKey

SWTCCCJQNPGXLQ-UHFFFAOYSA-N

Compound name

1-(1-butoxyethoxy)butane

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 1708
Patents: 174.16199 Da
Monoisotopic Mass: 3.0
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]+	175.16927	143.9
[M+Na]+	197.15121	149.3
[M-H]-	173.15471	143.6
[M+NH4]+	192.19581	164.5
[M+K]+	213.12515	149.5
[M+H-H2O]+	157.15925	138.7
[M+HCOO]-	219.16019	165.9
[M+CH3COO]-	233.17584	184.1
[M+Na-2H]-	195.13666	147.6
[M]+	174.16144	149.0
[M]-	174.16254	149.0

Literature stripe

literature stripe

Patent stripe

patents stripe