CID 6430389

13,17-dimethylnonatriacontane

Structural Information

Molecular Formula
C41H84
SMILES
CCCCCCCCCCCCCCCCCCCCCCC(C)CCCC(C)CCCCCCCCCCCC
InChI
InChI=1S/C41H84/c1-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-28-30-32-34-37-41(4)39-35-38-40(3)36-33-31-29-27-16-14-12-10-8-6-2/h40-41H,5-39H2,1-4H3
InChIKey
NCDMPBAUNOMRCH-UHFFFAOYSA-N
Compound name
13,17-dimethylnonatriacontane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

576.6573 Da
Monoisotopic Mass

21.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 577.66458 269.8
[M+Na]+ 599.64652 275.3
[M-H]- 575.65002 247.7
[M+NH4]+ 594.69112 267.8
[M+K]+ 615.62046 279.6
[M+H-H2O]+ 559.65456 268.9
[M+HCOO]- 621.65550 271.7
[M+CH3COO]- 635.67115 271.4
[M+Na-2H]- 597.63197 252.1
[M]+ 576.65675 270.6
[M]- 576.65785 270.6
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

No patent data available for this compound.