CID 23194

Undecylbenzene

Structural Information

Molecular Formula
C17H28
SMILES
CCCCCCCCCCCC1=CC=CC=C1
InChI
InChI=1S/C17H28/c1-2-3-4-5-6-7-8-9-11-14-17-15-12-10-13-16-17/h10,12-13,15-16H,2-9,11,14H2,1H3
InChIKey
XBEADGFTLHRJRB-UHFFFAOYSA-N
Compound name
undecylbenzene
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

1
References

3779
Patents

232.2191 Da
Monoisotopic Mass

8.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.22638 160.7
[M+Na]+ 255.20832 164.7
[M-H]- 231.21182 162.7
[M+NH4]+ 250.25292 178.7
[M+K]+ 271.18226 160.8
[M+H-H2O]+ 215.21636 153.6
[M+HCOO]- 277.21730 182.5
[M+CH3COO]- 291.23295 195.8
[M+Na-2H]- 253.19377 164.6
[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.