CID 7825

2-cyanoethyl acrylate

Structural Information

Molecular Formula
C6H7NO2
SMILES
C=CC(=O)OCCC#N
InChI
InChI=1S/C6H7NO2/c1-2-6(8)9-5-3-4-7/h2H,1,3,5H2
InChIKey
AEPWOCLBLLCOGZ-UHFFFAOYSA-N
Compound name
2-cyanoethyl prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

0
References

12426
Patents

125.047676 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.054952 122.8
[M+Na]+ 148.036894 132.3
[M-H]- 124.040400 123.9
[M+NH4]+ 143.081499 143.0
[M+K]+ 164.010834 131.9
[M+H-H2O]+ 108.044936 111.9
[M+HCOO]- 170.045877 143.2
[M+CH3COO]- 184.061527 184.0
[M+Na-2H]- 146.022342 128.8
[M]+ 125.04712742 119.9
[M]- 125.04822458 119.9
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