CID 24627

2-(2-cyanoethoxy)ethyl acrylate

Structural Information

Molecular Formula
C8H11NO3
SMILES
C=CC(=O)OCCOCCC#N
InChI
InChI=1S/C8H11NO3/c1-2-8(10)12-7-6-11-5-3-4-9/h2H,1,3,5-7H2
InChIKey
NHSMWDVLDUDINY-UHFFFAOYSA-N
Compound name
2-(2-cyanoethoxy)ethyl prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

404
Patents

169.0739 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.081176 132.8
[M+Na]+ 192.063118 141.4
[M-H]- 168.066624 133.5
[M+NH4]+ 187.107723 151.3
[M+K]+ 208.037058 141.1
[M+H-H2O]+ 152.071160 121.3
[M+HCOO]- 214.072101 152.8
[M+CH3COO]- 228.087751 191.2
[M+Na-2H]- 190.048566 137.9
[M]+ 169.07335142 131.8
[M]- 169.07444858 131.8
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