CID 67152

Ethoxymethylenemalononitrile

Structural Information

Molecular Formula
C6H6N2O
SMILES
CCOC=C(C#N)C#N
InChI
InChI=1S/C6H6N2O/c1-2-9-5-6(3-7)4-8/h5H,2H2,1H3
InChIKey
OEICGMPRFOJHKO-UHFFFAOYSA-N
Compound name
2-(ethoxymethylidene)propanedinitrile
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

10
References

2071
Patents

122.04801 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 123.05529 137.3
[M+Na]+ 145.03723 146.5
[M-H]- 121.04073 139.8
[M+NH4]+ 140.08183 152.2
[M+K]+ 161.01117 145.7
[M+H-H2O]+ 105.04527 123.3
[M+HCOO]- 167.04621 150.2
[M+CH3COO]- 181.06186 207.6
[M+Na-2H]- 143.02268 140.6
[M]+ 122.04746 130.3
[M]- 122.04856 130.3
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