CID 296281

Ethoxymethyl malononitrile

Structural Information

Molecular Formula
C6H8N2O
SMILES
CCOCC(C#N)C#N
InChI
InChI=1S/C6H8N2O/c1-2-9-5-6(3-7)4-8/h6H,2,5H2,1H3
InChIKey
SVNZHYZHVDZJFZ-UHFFFAOYSA-N
Compound name
2-(ethoxymethyl)propanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

124.06366 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.07094 136.0
[M+Na]+ 147.05288 144.9
[M-H]- 123.05638 138.4
[M+NH4]+ 142.09748 150.8
[M+K]+ 163.02682 144.6
[M+H-H2O]+ 107.06092 122.0
[M+HCOO]- 169.06186 148.8
[M+CH3COO]- 183.07751 208.6
[M+Na-2H]- 145.03833 139.5
[M]+ 124.06311 129.6
[M]- 124.06421 129.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe