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

108
Patents

136.06366 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.07094 140.0
[M+Na]+ 159.05288 148.9
[M-H]- 135.05638 142.4
[M+NH4]+ 154.09748 154.5
[M+K]+ 175.02682 148.0
[M+H-H2O]+ 119.06092 125.9
[M+HCOO]- 181.06186 152.7
[M+CH3COO]- 195.07751 209.5
[M+Na-2H]- 157.03833 143.0
[M]+ 136.06311 133.3
[M]- 136.06421 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