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

literature stripe

Patent stripe

patents stripe