CID 14068

2-butynedinitrile

Structural Information

Molecular Formula
C4N2
SMILES
C(#CC#N)C#N
InChI
InChI=1S/C4N2/c5-3-1-2-4-6
InChIKey
ZEHZNAXXOOYTJM-UHFFFAOYSA-N
Compound name
but-2-ynedinitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

367
Patents

76.00615 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 77.013426 180.5
[M+Na]+ 98.995368 185.3
[M+NH4]+ 94.039973 179.4
[M+K]+ 114.96931 176.6
[M-H]- 74.998874 170.7
[M+Na-2H]- 96.980816 177.0
[M]+ 76.005601 177.3
[M]- 76.006699 177.3
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