CID 56936177

4,6,8,10,16,18-hexamethyldocosane

Structural Information

Molecular Formula
C28H58
SMILES
CCCCC(C)CC(C)CCCCCC(C)CC(C)CC(C)CC(C)CCC
InChI
InChI=1S/C28H58/c1-9-11-16-24(4)19-25(5)17-13-12-14-18-26(6)21-28(8)22-27(7)20-23(3)15-10-2/h23-28H,9-22H2,1-8H3
InChIKey
STQCZSKIOVDDDU-UHFFFAOYSA-N
Compound name
4,6,8,10,16,18-hexamethyldocosane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

4
Patents

394.45386 Da
Monoisotopic Mass

13.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.46114 220.4
[M+Na]+ 417.44308 217.5
[M-H]- 393.44658 217.0
[M+NH4]+ 412.48768 224.9
[M+K]+ 433.41702 214.2
[M+H-H2O]+ 377.45112 212.9
[M+HCOO]- 439.45206 217.8
[M+CH3COO]- 453.46771 237.6
[M+Na-2H]- 415.42853 208.2
[M]+ 394.45331 226.1
[M]- 394.45441 226.1
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