CID 31237

Dodecylbenzene

Structural Information

Molecular Formula
C18H30
SMILES
CCCCCCCCCCCCC1=CC=CC=C1
InChI
InChI=1S/C18H30/c1-2-3-4-5-6-7-8-9-10-12-15-18-16-13-11-14-17-18/h11,13-14,16-17H,2-10,12,15H2,1H3
InChIKey
KWKXNDCHNDYVRT-UHFFFAOYSA-N
Compound name
dodecylbenzene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

51
References

49012
Patents

246.23476 Da
Monoisotopic Mass

8.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.24204 165.1
[M+Na]+ 269.22398 177.3
[M+NH4]+ 264.26858 173.9
[M+K]+ 285.19792 167.0
[M-H]- 245.22748 168.3
[M+Na-2H]- 267.20943 171.6
[M]+ 246.23421 167.8
[M]- 246.23531 167.8
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