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
4
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]+ 137.070936 141.8
[M+Na]+ 159.052878 150.5
[M-H]- 135.056384 144.2
[M+NH4]+ 154.097483 156.2
[M+K]+ 175.026818 149.8
[M+H-H2O]+ 119.060920 127.7
[M+HCOO]- 181.061861 153.8
[M+CH3COO]- 195.077511 210.0
[M+Na-2H]- 157.038326 143.7
[M]+ 136.06311142 134.5
[M]- 136.06420858 134.5
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