CID 22233

Diglycolurethane

Structural Information

Molecular Formula

C₆H₁₂N₂O₅

SMILES

C(COC(=O)N)OCCOC(=O)N

InChI

InChI=1S/C6H12N2O5/c7-5(9)12-3-1-11-2-4-13-6(8)10/h1-4H2,(H2,7,9)(H2,8,10)

InChIKey

CADMHCMDZLBQLA-UHFFFAOYSA-N

Compound name

2-(2-carbamoyloxyethoxy)ethyl carbamate

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 1
References: 9
Patents: 192.07462 Da
Monoisotopic Mass: -1.3
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]+	193.08190	138.7
[M+Na]+	215.06384	144.1
[M-H]-	191.06734	137.8
[M+NH4]+	210.10844	156.7
[M+K]+	231.03778	145.2
[M+H-H2O]+	175.07188	132.4
[M+HCOO]-	237.07282	162.8
[M+CH3COO]-	251.08847	184.7
[M+Na-2H]-	213.04929	141.6
[M]+	192.07407	140.5
[M]-	192.07517	140.5

Literature stripe

literature stripe

Patent stripe

patents stripe