CID 20655

3-phenylundecane

Structural Information

Molecular Formula
C17H28
SMILES
CCCCCCCCC(CC)C1=CC=CC=C1
InChI
InChI=1S/C17H28/c1-3-5-6-7-8-10-13-16(4-2)17-14-11-9-12-15-17/h9,11-12,14-16H,3-8,10,13H2,1-2H3
InChIKey
NVHBFHMWJJMQTG-UHFFFAOYSA-N
Compound name
undecan-3-ylbenzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

14
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

literature stripe

Patent stripe

patents stripe