CID 108597

Einecs 259-167-5

Structural Information

Molecular Formula
C18H18O2
SMILES
CC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)OC(=O)C=C
InChI
InChI=1S/C18H18O2/c1-4-17(19)20-16-12-10-15(11-13-16)18(2,3)14-8-6-5-7-9-14/h4-13H,1H2,2-3H3
InChIKey
LXSJHLYEDBJAGK-UHFFFAOYSA-N
Compound name
[4-(2-phenylpropan-2-yl)phenyl] prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

459
Patents

266.13068 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.13796 162.2
[M+Na]+ 289.11990 168.8
[M-H]- 265.12340 168.8
[M+NH4]+ 284.16450 178.5
[M+K]+ 305.09384 164.9
[M+H-H2O]+ 249.12794 155.0
[M+HCOO]- 311.12888 183.6
[M+CH3COO]- 325.14453 198.1
[M+Na-2H]- 287.10535 167.0
[M]+ 266.13013 163.4
[M]- 266.13123 163.4
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

patents stripe