CID 6430402

15,19-dimethylnonatriacontane

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
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

patents stripe