CID 10866434

17686-46-3

Structural Information

Molecular Formula

C₆H₁₀N₂O₂

SMILES

CCOC(=NC#N)OCC

InChI

InChI=1S/C6H10N2O2/c1-3-9-6(8-5-7)10-4-2/h3-4H2,1-2H3

InChIKey

TWUGFCKFSMKNDS-UHFFFAOYSA-N

Compound name

diethoxymethylidenecyanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 142.07423 Da
Monoisotopic Mass: 1.6
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]+	143.08151	127.0
[M+Na]+	165.06345	135.7
[M-H]-	141.06695	129.1
[M+NH4]+	160.10805	147.0
[M+K]+	181.03739	136.9
[M+H-H2O]+	125.07149	115.2
[M+HCOO]-	187.07243	149.3
[M+CH3COO]-	201.08808	190.4
[M+Na-2H]-	163.04890	133.5
[M]+	142.07368	125.4
[M]-	142.07478	125.4

Literature stripe

literature stripe

Patent stripe

patents stripe