CID 8222

Eicosane

Structural Information

Molecular Formula
C20H42
SMILES
CCCCCCCCCCCCCCCCCCCC
InChI
InChI=1S/C20H42/c1-3-5-7-9-11-13-15-17-19-20-18-16-14-12-10-8-6-4-2/h3-20H2,1-2H3
InChIKey
CBFCDTFDPHXCNY-UHFFFAOYSA-N
Compound name
icosane
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

139
References

75177
Patents

282.32864 Da
Monoisotopic Mass

10.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.335916 182.3
[M+Na]+ 305.317858 183.8
[M-H]- 281.321364 180.0
[M+NH4]+ 300.362463 198.6
[M+K]+ 321.291798 179.9
[M+H-H2O]+ 265.325900 175.5
[M+HCOO]- 327.326841 201.5
[M+CH3COO]- 341.342491 209.7
[M+Na-2H]- 303.303306 181.9
[M]+ 282.32809142 189.0
[M]- 282.32918858 189.0
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