CID 17379

Dibutoxymethane

Structural Information

Molecular Formula

C₉H₂₀O₂

SMILES

CCCCOCOCCCC

InChI

InChI=1S/C9H20O2/c1-3-5-7-10-9-11-8-6-4-2/h3-9H2,1-2H3

InChIKey

QLCJOAMJPCOIDI-UHFFFAOYSA-N

Compound name

1-(butoxymethoxy)butane

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 3057
Patents: 160.14633 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]+	161.153606	138.6
[M+Na]+	183.135548	144.6
[M-H]-	159.139054	138.3
[M+NH4]+	178.180153	159.8
[M+K]+	199.109488	144.6
[M+H-H2O]+	143.143590	133.5
[M+HCOO]-	205.144531	161.9
[M+CH3COO]-	219.160181	180.3
[M+Na-2H]-	181.120996	144.2
[M]+	160.14578142	144.0
[M]-	160.14687858	144.0

Literature stripe

literature stripe

Patent stripe

patents stripe