CID 576412

3-phenylpropyl acrylate

Structural Information

Molecular Formula
C12H14O2
SMILES
C=CC(=O)OCCCC1=CC=CC=C1
InChI
InChI=1S/C12H14O2/c1-2-12(13)14-10-6-9-11-7-4-3-5-8-11/h2-5,7-8H,1,6,9-10H2
InChIKey
PKBZUGSITIBLFK-UHFFFAOYSA-N
Compound name
3-phenylpropyl prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1454
Patents

190.09938 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.106656 142.2
[M+Na]+ 213.088598 148.7
[M-H]- 189.092104 145.4
[M+NH4]+ 208.133203 161.6
[M+K]+ 229.062538 146.4
[M+H-H2O]+ 173.096640 136.0
[M+HCOO]- 235.097581 165.7
[M+CH3COO]- 249.113231 182.8
[M+Na-2H]- 211.074046 147.6
[M]+ 190.09883142 144.0
[M]- 190.09992858 144.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.