CID 228230

31736-34-2

Structural Information

Molecular Formula
C13H14O2
SMILES
CC(=C)C(=O)OCC=CC1=CC=CC=C1
InChI
InChI=1S/C13H14O2/c1-11(2)13(14)15-10-6-9-12-7-4-3-5-8-12/h3-9H,1,10H2,2H3
InChIKey
QJAIDMRTITZOLC-UHFFFAOYSA-N
Compound name
3-phenylprop-2-enyl 2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

5450
Patents

202.09938 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.106656 145.7
[M+Na]+ 225.088598 151.9
[M-H]- 201.092104 148.9
[M+NH4]+ 220.133203 164.6
[M+K]+ 241.062538 149.2
[M+H-H2O]+ 185.096640 139.6
[M+HCOO]- 247.097581 168.1
[M+CH3COO]- 261.113231 185.1
[M+Na-2H]- 223.074046 149.4
[M]+ 202.09883142 146.4
[M]- 202.09992858 146.4
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