CID 12405

Docosane

Structural Information

Molecular Formula
C22H46
SMILES
CCCCCCCCCCCCCCCCCCCCCC
InChI
InChI=1S/C22H46/c1-3-5-7-9-11-13-15-17-19-21-22-20-18-16-14-12-10-8-6-4-2/h3-22H2,1-2H3
InChIKey
HOWGUJZVBDQJKV-UHFFFAOYSA-N
Compound name
docosane
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

59
References

28504
Patents

310.35995 Da
Monoisotopic Mass

11.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.367226 191.2
[M+Na]+ 333.349168 191.8
[M-H]- 309.352674 188.5
[M+NH4]+ 328.393773 206.4
[M+K]+ 349.323108 187.4
[M+H-H2O]+ 293.357210 183.9
[M+HCOO]- 355.358151 209.7
[M+CH3COO]- 369.373801 215.6
[M+Na-2H]- 331.334616 189.7
[M]+ 310.35940142 198.6
[M]- 310.36049858 198.6
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