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
3
Annotation Hits

3
References

415
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 147.9
[M+Na]+ 98.995368 156.0
[M-H]- 74.998874 151.6
[M+NH4]+ 94.039973 157.6
[M+K]+ 114.96931 154.5
[M+H-H2O]+ 59.003410 136.2
[M+HCOO]- 121.00435 153.7
[M+CH3COO]- 135.02000 224.7
[M+Na-2H]- 96.980816 148.8
[M]+ 76.005601 140.4
[M]- 76.006699 140.4
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