CID 81530

Ethyl 2-cyanoacrylate

Structural Information

Molecular Formula
C6H7NO2
SMILES
CCOC(=O)C(=C)C#N
InChI
InChI=1S/C6H7NO2/c1-3-9-6(8)5(2)4-7/h2-3H2,1H3
InChIKey
FGBJXOREULPLGL-UHFFFAOYSA-N
Compound name
ethyl 2-cyanoprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

145
References

23719
Patents

125.047676 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.054952 124.0
[M+Na]+ 148.036894 133.3
[M-H]- 124.040400 125.2
[M+NH4]+ 143.081499 144.1
[M+K]+ 164.010834 133.3
[M+H-H2O]+ 108.044936 113.1
[M+HCOO]- 170.045877 143.5
[M+CH3COO]- 184.061527 184.8
[M+Na-2H]- 146.022342 128.7
[M]+ 125.04712742 120.4
[M]- 125.04822458 120.4
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