CID 346287

Diethyleneglycol diformate

Structural Information

Molecular Formula

C₆H₁₀O₅

SMILES

C(COC=O)OCCOC=O

InChI

InChI=1S/C6H10O5/c7-5-10-3-1-9-2-4-11-6-8/h5-6H,1-4H2

InChIKey

JGJDTAFZUXGTQS-UHFFFAOYSA-N

Compound name

2-(2-formyloxyethoxy)ethyl formate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 596
Patents: 162.05283 Da
Monoisotopic Mass: -0.1
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]+	163.060106	129.2
[M+Na]+	185.042048	136.8
[M-H]-	161.045554	129.4
[M+NH4]+	180.086653	149.8
[M+K]+	201.015988	137.8
[M+H-H2O]+	145.050090	124.1
[M+HCOO]-	207.051031	154.6
[M+CH3COO]-	221.066681	175.4
[M+Na-2H]-	183.027496	136.6
[M]+	162.05228142	136.5
[M]-	162.05337858	136.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe