CID 96363

Ethylene bis(cyanoacetate)

Structural Information

Molecular Formula
C8H8N2O4
SMILES
C(COC(=O)CC#N)OC(=O)CC#N
InChI
InChI=1S/C8H8N2O4/c9-3-1-7(11)13-5-6-14-8(12)2-4-10/h1-2,5-6H2
InChIKey
UASCOHMZKHIVQW-UHFFFAOYSA-N
Compound name
2-(2-cyanoacetyl)oxyethyl 2-cyanoacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

196.0484 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.055676 148.0
[M+Na]+ 219.037618 156.4
[M-H]- 195.041124 150.1
[M+NH4]+ 214.082223 160.7
[M+K]+ 235.011558 156.4
[M+H-H2O]+ 179.045660 133.4
[M+HCOO]- 241.046601 160.4
[M+CH3COO]- 255.062251 214.8
[M+Na-2H]- 217.023066 149.8
[M]+ 196.04785142 143.2
[M]- 196.04894858 143.2
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