CID 12402794

30989-69-6

Structural Information

Molecular Formula

C₁₃H₂₈O₄

SMILES

CCC(C(OCC)OCC)C(OCC)OCC

InChI

InChI=1S/C13H28O4/c1-6-11(12(14-7-2)15-8-3)13(16-9-4)17-10-5/h11-13H,6-10H2,1-5H3

InChIKey

GFCQYNBXLQEBEJ-UHFFFAOYSA-N

Compound name

2-(diethoxymethyl)-1,1-diethoxybutane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 248.19876 Da
Monoisotopic Mass: 2.6
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]+	249.206036	164.2
[M+Na]+	271.187978	167.7
[M-H]-	247.191484	163.3
[M+NH4]+	266.232583	181.4
[M+K]+	287.161918	169.0
[M+H-H2O]+	231.196020	158.0
[M+HCOO]-	293.196961	183.7
[M+CH3COO]-	307.212611	198.6
[M+Na-2H]-	269.173426	163.7
[M]+	248.19821142	172.0
[M]-	248.19930858	172.0

Literature stripe

literature stripe

Patent stripe

patents stripe