CID 20654

4-phenylundecane

Structural Information

Molecular Formula
C17H28
SMILES
CCCCCCCC(CCC)C1=CC=CC=C1
InChI
InChI=1S/C17H28/c1-3-5-6-7-9-13-16(12-4-2)17-14-10-8-11-15-17/h8,10-11,14-16H,3-7,9,12-13H2,1-2H3
InChIKey
NSQAXMRLBNXEHK-UHFFFAOYSA-N
Compound name
undecan-4-ylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

232.2191 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.22638 161.3
[M+Na]+ 255.20832 165.1
[M-H]- 231.21182 163.5
[M+NH4]+ 250.25292 179.3
[M+K]+ 271.18226 161.7
[M+H-H2O]+ 215.21636 154.4
[M+HCOO]- 277.21730 182.2
[M+CH3COO]- 291.23295 196.5
[M+Na-2H]- 253.19377 163.9
[M]+ 232.21855 163.5
[M]- 232.21965 163.5
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

No patent data available for this compound.