CID 12409

Nonacosane

Structural Information

Molecular Formula
C29H60
SMILES
CCCCCCCCCCCCCCCCCCCCCCCCCCCCC
InChI
InChI=1S/C29H60/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-29H2,1-2H3
InChIKey
IGGUPRCHHJZPBS-UHFFFAOYSA-N
Compound name
nonacosane
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

58
References

6444
Patents

408.4695 Da
Monoisotopic Mass

15.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.476776 221.5
[M+Na]+ 431.458718 219.2
[M-H]- 407.462224 217.3
[M+NH4]+ 426.503323 232.6
[M+K]+ 447.432658 212.9
[M+H-H2O]+ 391.466760 212.8
[M+HCOO]- 453.467701 237.6
[M+CH3COO]- 467.483351 236.2
[M+Na-2H]- 429.444166 216.3
[M]+ 408.46895142 231.6
[M]- 408.47004858 231.6
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