CID 16979

Benzene, (1-ethyldecyl)-

Structural Information

Molecular Formula
C18H30
SMILES
CCCCCCCCCC(CC)C1=CC=CC=C1
InChI
InChI=1S/C18H30/c1-3-5-6-7-8-9-11-14-17(4-2)18-15-12-10-13-16-18/h10,12-13,15-17H,3-9,11,14H2,1-2H3
InChIKey
PGVOXXHNGYYHHB-UHFFFAOYSA-N
Compound name
dodecan-3-ylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

120
Patents

246.23476 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.24204 165.3
[M+Na]+ 269.22398 177.2
[M+NH4]+ 264.26858 174.0
[M+K]+ 285.19792 167.7
[M-H]- 245.22748 168.3
[M+Na-2H]- 267.20943 171.4
[M]+ 246.23421 167.9
[M]- 246.23531 167.9
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