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

2740
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

literature stripe

Patent stripe

patents stripe