CID 104313

2,2-diethoxybutane

Structural Information

Molecular Formula

C₈H₁₈O₂

SMILES

CCC(C)(OCC)OCC

InChI

InChI=1S/C8H18O2/c1-5-8(4,9-6-2)10-7-3/h5-7H2,1-4H3

InChIKey

JKUNNIMQUQJDKW-UHFFFAOYSA-N

Compound name

2,2-diethoxybutane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 159
Patents: 146.13068 Da
Monoisotopic Mass: 1.9
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]+	147.137956	133.9
[M+Na]+	169.119898	140.9
[M-H]-	145.123404	134.3
[M+NH4]+	164.164503	155.8
[M+K]+	185.093838	141.5
[M+H-H2O]+	129.127940	129.8
[M+HCOO]-	191.128881	156.1
[M+CH3COO]-	205.144531	177.6
[M+Na-2H]-	167.105346	140.7
[M]+	146.13013142	138.5
[M]-	146.13122858	138.5

Literature stripe

literature stripe

Patent stripe

patents stripe