CID 77261

3-phenylpropyl methacrylate

Structural Information

Molecular Formula
C13H16O2
SMILES
CC(=C)C(=O)OCCCC1=CC=CC=C1
InChI
InChI=1S/C13H16O2/c1-11(2)13(14)15-10-6-9-12-7-4-3-5-8-12/h3-5,7-8H,1,6,9-10H2,2H3
InChIKey
RXXZODOCQIRRQA-UHFFFAOYSA-N
Compound name
3-phenylpropyl 2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1633
Patents

204.11504 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.122316 147.0
[M+Na]+ 227.104258 152.9
[M-H]- 203.107764 150.1
[M+NH4]+ 222.148863 165.9
[M+K]+ 243.078198 150.8
[M+H-H2O]+ 187.112300 140.8
[M+HCOO]- 249.113241 169.2
[M+CH3COO]- 263.128891 186.7
[M+Na-2H]- 225.089706 150.6
[M]+ 204.11449142 148.6
[M]- 204.11558858 148.6
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