CID 6430430

4,8-dimethyldotriacontane

Structural Information

Molecular Formula
C34H70
SMILES
CCCCCCCCCCCCCCCCCCCCCCCCC(C)CCCC(C)CCC
InChI
InChI=1S/C34H70/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-30-34(4)32-28-31-33(3)29-6-2/h33-34H,5-32H2,1-4H3
InChIKey
HMRDZHFLWMCLGY-UHFFFAOYSA-N
Compound name
4,8-dimethyldotriacontane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

478.54776 Da
Monoisotopic Mass

18.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 479.55504 245.5
[M+Na]+ 501.53698 240.7
[M-H]- 477.54048 226.2
[M+NH4]+ 496.58158 243.8
[M+K]+ 517.51092 233.9
[M+H-H2O]+ 461.54502 236.1
[M+HCOO]- 523.54596 250.1
[M+CH3COO]- 537.56161 251.8
[M+Na-2H]- 499.52243 235.0
[M]+ 478.54721 247.2
[M]- 478.54831 247.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.