CID 23171

Cyclopentane, heneicosyl-

Structural Information

Molecular Formula
C26H52
SMILES
CCCCCCCCCCCCCCCCCCCCCC1CCCC1
InChI
InChI=1S/C26H52/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-26-24-21-22-25-26/h26H,2-25H2,1H3
InChIKey
GNECQVKDNNGLCG-UHFFFAOYSA-N
Compound name
henicosylcyclopentane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

364.4069 Da
Monoisotopic Mass

13.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.414176 207.6
[M+Na]+ 387.396118 205.5
[M-H]- 363.399624 206.8
[M+NH4]+ 382.440723 221.6
[M+K]+ 403.370058 199.8
[M+H-H2O]+ 347.404160 198.9
[M+HCOO]- 409.405101 224.0
[M+CH3COO]- 423.420751 223.4
[M+Na-2H]- 385.381566 202.1
[M]+ 364.40635142 211.4
[M]- 364.40744858 211.4
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