CID 79450

5417-82-3

Structural Information

Molecular Formula
C7H8N2O
SMILES
CCOC(=C(C#N)C#N)C
InChI
InChI=1S/C7H8N2O/c1-3-10-6(2)7(4-8)5-9/h3H2,1-2H3
InChIKey
BOSVWXDDFBSSIZ-UHFFFAOYSA-N
Compound name
2-(1-ethoxyethylidene)propanedinitrile
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

501
Patents

136.06366 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.07094 156.8
[M+Na]+ 159.05288 163.9
[M+NH4]+ 154.09748 157.1
[M+K]+ 175.02682 154.7
[M-H]- 135.05638 145.3
[M+Na-2H]- 157.03833 154.6
[M]+ 136.06311 153.2
[M]- 136.06421 153.2
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