CID 56936179

4,8,12,16-tetramethyldotriacontane

Structural Information

Molecular Formula
C36H74
SMILES
CCCCCCCCCCCCCCCCC(C)CCCC(C)CCCC(C)CCCC(C)CCC
InChI
InChI=1S/C36H74/c1-7-9-10-11-12-13-14-15-16-17-18-19-20-21-26-34(4)28-23-30-36(6)32-24-31-35(5)29-22-27-33(3)25-8-2/h33-36H,7-32H2,1-6H3
InChIKey
XQKKOEGAGASJQQ-UHFFFAOYSA-N
Compound name
4,8,12,16-tetramethyldotriacontane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

506.57904 Da
Monoisotopic Mass

18.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 507.586316 250.6
[M+Na]+ 529.568258 258.0
[M-H]- 505.571764 233.6
[M+NH4]+ 524.612863 252.0
[M+K]+ 545.542198 261.4
[M+H-H2O]+ 489.576300 246.2
[M+HCOO]- 551.577241 249.8
[M+CH3COO]- 565.592891 258.8
[M+Na-2H]- 527.553706 236.5
[M]+ 506.57849142 252.0
[M]- 506.57958858 252.0
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