CID 12407

Hexacosane

Structural Information

Molecular Formula
C26H54
SMILES
CCCCCCCCCCCCCCCCCCCCCCCCCC
InChI
InChI=1S/C26H54/c1-3-5-7-9-11-13-15-17-19-21-23-25-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-26H2,1-2H3
InChIKey
HMSWAIKSFDFLKN-UHFFFAOYSA-N
Compound name
hexacosane
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

18
References

9653
Patents

366.42255 Da
Monoisotopic Mass

13.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.429826 208.7
[M+Na]+ 389.411768 207.6
[M-H]- 365.415274 205.1
[M+NH4]+ 384.456373 221.5
[M+K]+ 405.385708 202.1
[M+H-H2O]+ 349.419810 200.6
[M+HCOO]- 411.420751 225.8
[M+CH3COO]- 425.436401 227.4
[M+Na-2H]- 387.397216 205.0
[M]+ 366.42200142 217.6
[M]- 366.42309858 217.6
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