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
1
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]+ 353.24751 192.3
[M+Na]+ 375.22945 194.4
[M-H]- 351.23295 196.6
[M+NH4]+ 370.27405 204.4
[M+K]+ 391.20339 189.0
[M+H-H2O]+ 335.23749 182.6
[M+HCOO]- 397.23843 212.7
[M+CH3COO]- 411.25408 215.2
[M+Na-2H]- 373.21490 193.4
[M]+ 352.23968 196.1
[M]- 352.24078 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