CID 12403

Heneicosane

Structural Information

Molecular Formula
C21H44
SMILES
CCCCCCCCCCCCCCCCCCCCC
InChI
InChI=1S/C21H44/c1-3-5-7-9-11-13-15-17-19-21-20-18-16-14-12-10-8-6-4-2/h3-21H2,1-2H3
InChIKey
FNAZRRHPUDJQCJ-UHFFFAOYSA-N
Compound name
henicosane
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

32
References

12280
Patents

296.3443 Da
Monoisotopic Mass

11.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.35158 186.8
[M+Na]+ 319.33352 187.8
[M-H]- 295.33702 184.2
[M+NH4]+ 314.37812 202.5
[M+K]+ 335.30746 183.7
[M+H-H2O]+ 279.34156 179.7
[M+HCOO]- 341.34250 205.6
[M+CH3COO]- 355.35815 212.7
[M+Na-2H]- 317.31897 185.8
[M]+ 296.34375 193.8
[M]- 296.34485 193.8
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