CID 39485

2-phenoxyethyl acrylate

Structural Information

Molecular Formula
C11H12O3
SMILES
C=CC(=O)OCCOC1=CC=CC=C1
InChI
InChI=1S/C11H12O3/c1-2-11(12)14-9-8-13-10-6-4-3-5-7-10/h2-7H,1,8-9H2
InChIKey
RZVINYQDSSQUKO-UHFFFAOYSA-N
Compound name
2-phenoxyethyl prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

4
References

55941
Patents

192.07864 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.08592 140.6
[M+Na]+ 215.06786 147.5
[M-H]- 191.07136 144.0
[M+NH4]+ 210.11246 159.9
[M+K]+ 231.04180 145.9
[M+H-H2O]+ 175.07590 134.4
[M+HCOO]- 237.07684 164.7
[M+CH3COO]- 251.09249 181.8
[M+Na-2H]- 213.05331 146.6
[M]+ 192.07809 143.5
[M]- 192.07919 143.5
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