CID 6430431

4,8-dimethyltetratriacontane

Structural Information

Molecular Formula
C36H74
SMILES
CCCCCCCCCCCCCCCCCCCCCCCCCCC(C)CCCC(C)CCC
InChI
InChI=1S/C36H74/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-32-36(4)34-30-33-35(3)31-6-2/h35-36H,5-34H2,1-4H3
InChIKey
XGRFFOSLPILRMP-UHFFFAOYSA-N
Compound name
4,8-dimethyltetratriacontane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

506.57904 Da
Monoisotopic Mass

19.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 507.586316 252.7
[M+Na]+ 529.568258 259.0
[M-H]- 505.571764 232.4
[M+NH4]+ 524.612863 250.8
[M+K]+ 545.542198 261.3
[M+H-H2O]+ 489.576300 244.1
[M+HCOO]- 551.577241 256.4
[M+CH3COO]- 565.592891 257.5
[M+Na-2H]- 527.553706 242.3
[M]+ 506.57849142 253.9
[M]- 506.57958858 253.9
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.