CID 8909

Butyl ether

Structural Information

Molecular Formula

C₈H₁₈O

SMILES

CCCCOCCCC

InChI

InChI=1S/C8H18O/c1-3-5-7-9-8-6-4-2/h3-8H2,1-2H3

InChIKey

DURPTKYDGMDSBL-UHFFFAOYSA-N

Compound name

1-butoxybutane

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 174
References: 35807
Patents: 130.13577 Da
Monoisotopic Mass: 3.2
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]+	131.14305	130.9
[M+Na]+	153.12499	137.3
[M-H]-	129.12849	130.9
[M+NH4]+	148.16959	153.3
[M+K]+	169.09893	137.2
[M+H-H2O]+	113.13303	126.3
[M+HCOO]-	175.13397	154.3
[M+CH3COO]-	189.14962	175.4
[M+Na-2H]-	151.11044	137.1
[M]+	130.13522	134.5
[M]-	130.13632	134.5

Literature stripe

literature stripe

Patent stripe

patents stripe