CID 83559

Einecs 236-890-4

Structural Information

Molecular Formula

C₆H₁₂N₂O₂

SMILES

CCOC(=N)C(=N)OCC

InChI

InChI=1S/C6H12N2O2/c1-3-9-5(7)6(8)10-4-2/h7-8H,3-4H2,1-2H3

InChIKey

ASBYNUPWDRZDBR-UHFFFAOYSA-N

Compound name

diethyl ethanediimidate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 8
Patents: 144.08987 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]+	145.097146	131.8
[M+Na]+	167.079088	137.6
[M-H]-	143.082594	132.2
[M+NH4]+	162.123693	152.7
[M+K]+	183.053028	137.9
[M+H-H2O]+	127.087130	126.4
[M+HCOO]-	189.088071	156.5
[M+CH3COO]-	203.103721	178.7
[M+Na-2H]-	165.064536	136.6
[M]+	144.08932142	131.3
[M]-	144.09041858	131.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe