CID 292285

3-ethyl-5-(2-ethylbutyl)octadecane

Structural Information

Molecular Formula
C26H54
SMILES
CCCCCCCCCCCCCC(CC(CC)CC)CC(CC)CC
InChI
InChI=1S/C26H54/c1-6-11-12-13-14-15-16-17-18-19-20-21-26(22-24(7-2)8-3)23-25(9-4)10-5/h24-26H,6-23H2,1-5H3
InChIKey
MFLJAIATZVGFPM-UHFFFAOYSA-N
Compound name
3-ethyl-5-(2-ethylbutyl)octadecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

366.42255 Da
Monoisotopic Mass

13.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.429826 211.5
[M+Na]+ 389.411768 209.9
[M-H]- 365.415274 208.2
[M+NH4]+ 384.456373 224.2
[M+K]+ 405.385708 205.7
[M+H-H2O]+ 349.419810 203.8
[M+HCOO]- 411.420751 225.6
[M+CH3COO]- 425.436401 229.5
[M+Na-2H]- 387.397216 204.0
[M]+ 366.42200142 218.4
[M]- 366.42309858 218.4
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