CID 109634

Phenylundecanoic acid, benzyl ester

Structural Information

Molecular Formula
C24H32O2
SMILES
C1=CC=C(C=C1)CCCCCCCCCCC(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C24H32O2/c25-24(26-21-23-18-12-8-13-19-23)20-14-6-4-2-1-3-5-9-15-22-16-10-7-11-17-22/h7-8,10-13,16-19H,1-6,9,14-15,20-21H2
InChIKey
ISTWNOJYTFQNFE-UHFFFAOYSA-N
Compound name
benzyl 11-phenylundecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

352.24023 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.247506 192.3
[M+Na]+ 375.229448 194.4
[M-H]- 351.232954 196.6
[M+NH4]+ 370.274053 204.4
[M+K]+ 391.203388 189.0
[M+H-H2O]+ 335.237490 182.6
[M+HCOO]- 397.238431 212.7
[M+CH3COO]- 411.254081 215.2
[M+Na-2H]- 373.214896 193.4
[M]+ 352.23968142 196.1
[M]- 352.24077858 196.1
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