CID 110268

P-cumylphenyl methacrylate

Structural Information

Molecular Formula
C19H20O2
SMILES
CC(=C)C(=O)OC1=CC=C(C=C1)C(C)(C)C2=CC=CC=C2
InChI
InChI=1S/C19H20O2/c1-14(2)18(20)21-17-12-10-16(11-13-17)19(3,4)15-8-6-5-7-9-15/h5-13H,1H2,2-4H3
InChIKey
PDLZOMRBHUBXSF-UHFFFAOYSA-N
Compound name
[4-(2-phenylpropan-2-yl)phenyl] 2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

353
Patents

280.14633 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.153606 166.2
[M+Na]+ 303.135548 172.1
[M-H]- 279.139054 172.6
[M+NH4]+ 298.180153 181.8
[M+K]+ 319.109488 168.5
[M+H-H2O]+ 263.143590 158.9
[M+HCOO]- 325.144531 186.2
[M+CH3COO]- 339.160181 201.9
[M+Na-2H]- 301.120996 169.3
[M]+ 280.14578142 167.1
[M]- 280.14687858 167.1
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