CID 3051

Diethyl pyrocarbonate

Structural Information

Molecular Formula

C₆H₁₀O₅

SMILES

CCOC(=O)OC(=O)OCC

InChI

InChI=1S/C6H10O5/c1-3-9-5(7)11-6(8)10-4-2/h3-4H2,1-2H3

InChIKey

FFYPMLJYZAEMQB-UHFFFAOYSA-N

Compound name

ethoxycarbonyl ethyl carbonate

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 1506
References: 31875
Patents: 162.05283 Da
Monoisotopic Mass: 1.4
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]+	163.06011	132.4
[M+Na]+	185.04205	141.1
[M+NH4]+	180.08665	138.1
[M+K]+	201.01599	138.2
[M-H]-	161.04555	129.5
[M+Na-2H]-	183.02750	134.2
[M]+	162.05228	132.3
[M]-	162.05338	132.3

Literature stripe

literature stripe

Patent stripe

patents stripe