CID 15086

Tetradecylbenzene

Structural Information

Molecular Formula
C20H34
SMILES
CCCCCCCCCCCCCCC1=CC=CC=C1
InChI
InChI=1S/C20H34/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-20-18-15-13-16-19-20/h13,15-16,18-19H,2-12,14,17H2,1H3
InChIKey
JZALLXAUNPOCEU-UHFFFAOYSA-N
Compound name
tetradecylbenzene
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

1
References

12278
Patents

274.26605 Da
Monoisotopic Mass

9.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.273326 174.4
[M+Na]+ 297.255268 177.1
[M-H]- 273.258774 175.8
[M+NH4]+ 292.299873 190.6
[M+K]+ 313.229208 172.4
[M+H-H2O]+ 257.263310 166.7
[M+HCOO]- 319.264251 195.2
[M+CH3COO]- 333.279901 204.8
[M+Na-2H]- 295.240716 176.6
[M]+ 274.26550142 178.3
[M]- 274.26659858 178.3
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