CID 3033577

1,2-dibutoxyethylene

Structural Information

Molecular Formula

C₁₀H₂₀O₂

SMILES

CCCCO/C=C/OCCCC

InChI

InChI=1S/C10H20O2/c1-3-5-7-11-9-10-12-8-6-4-2/h9-10H,3-8H2,1-2H3/b10-9+

InChIKey

XJSGGBRZXRTZQN-MDZDMXLPSA-N

Compound name

1-[(E)-2-butoxyethenoxy]butane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 172.14633 Da
Monoisotopic Mass: 2.9
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]+	173.15361	141.8
[M+Na]+	195.13555	147.8
[M-H]-	171.13905	141.4
[M+NH4]+	190.18015	162.5
[M+K]+	211.10949	146.9
[M+H-H2O]+	155.14359	136.6
[M+HCOO]-	217.14453	165.0
[M+CH3COO]-	231.16018	181.8
[M+Na-2H]-	193.12100	146.9
[M]+	172.14578	146.8
[M]-	172.14688	146.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe