CID 45262

Usaf kf-8

Structural Information

Molecular Formula
C7H8N2O
SMILES
CCOCC=C(C#N)C#N
InChI
InChI=1S/C7H8N2O/c1-2-10-4-3-7(5-8)6-9/h3H,2,4H2,1H3
InChIKey
GMZMDJNLXLSHTJ-UHFFFAOYSA-N
Compound name
2-(2-ethoxyethylidene)propanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

111
Patents

136.06366 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.070936 140.0
[M+Na]+ 159.052878 148.9
[M-H]- 135.056384 142.4
[M+NH4]+ 154.097483 154.5
[M+K]+ 175.026818 148.0
[M+H-H2O]+ 119.060920 125.9
[M+HCOO]- 181.061861 152.7
[M+CH3COO]- 195.077511 209.5
[M+Na-2H]- 157.038326 143.0
[M]+ 136.06311142 133.3
[M]- 136.06420858 133.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe