CID 3017658

2-phenylpropyl 2-phenylpropionate

Structural Information

Molecular Formula
C18H20O2
SMILES
CC(COC(=O)C(C)C1=CC=CC=C1)C2=CC=CC=C2
InChI
InChI=1S/C18H20O2/c1-14(16-9-5-3-6-10-16)13-20-18(19)15(2)17-11-7-4-8-12-17/h3-12,14-15H,13H2,1-2H3
InChIKey
SZNYOTYMJZKVGV-UHFFFAOYSA-N
Compound name
2-phenylpropyl 2-phenylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.14633 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.153606 164.8
[M+Na]+ 291.135548 169.1
[M-H]- 267.139054 170.7
[M+NH4]+ 286.180153 180.4
[M+K]+ 307.109488 166.2
[M+H-H2O]+ 251.143590 156.8
[M+HCOO]- 313.144531 185.4
[M+CH3COO]- 327.160181 199.1
[M+Na-2H]- 289.120996 167.0
[M]+ 268.14578142 165.4
[M]- 268.14687858 165.4
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

No patent data available for this compound.