CID 5743605

Vinyl dicyanoacetate

Structural Information

Molecular Formula
C6H4N2O2
SMILES
C=COC(=O)C(C#N)C#N
InChI
InChI=1S/C6H4N2O2/c1-2-10-6(9)5(3-7)4-8/h2,5H,1H2
InChIKey
UYRWDPUVLULWRK-UHFFFAOYSA-N
Compound name
ethenyl 2,2-dicyanoacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

136.02728 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.034556 140.9
[M+Na]+ 159.016498 149.9
[M-H]- 135.020004 143.3
[M+NH4]+ 154.061103 155.2
[M+K]+ 174.990438 149.4
[M+H-H2O]+ 119.024540 126.7
[M+HCOO]- 181.025481 153.3
[M+CH3COO]- 195.041131 208.8
[M+Na-2H]- 157.001946 143.1
[M]+ 136.02673142 133.8
[M]- 136.02782858 133.8
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

No patent data available for this compound.