CID 21118548

Ns00062187

Structural Information

Molecular Formula

C₂₄H₃₂O₂

SMILES

CCCCCCCCCC(C1=CC=CC=C1)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C24H32O2/c1-2-3-4-5-6-7-14-19-23(22-17-12-9-13-18-22)24(25)26-20-21-15-10-8-11-16-21/h8-13,15-18,23H,2-7,14,19-20H2,1H3

InChIKey

RJDYBAUOAOFGOA-UHFFFAOYSA-N

Compound name

benzyl 2-phenylundecanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 352.24023 Da
Monoisotopic Mass: 7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	353.247506	192.7
[M+Na]+	375.229448	194.5
[M-H]-	351.232954	197.2
[M+NH4]+	370.274053	204.8
[M+K]+	391.203388	189.7
[M+H-H2O]+	335.237490	183.2
[M+HCOO]-	397.238431	212.2
[M+CH3COO]-	411.254081	216.0
[M+Na-2H]-	373.214896	192.6
[M]+	352.23968142	195.9
[M]-	352.24077858	195.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.