CID 519146

2-methyleicosane

Structural Information

Molecular Formula
C21H44
SMILES
CCCCCCCCCCCCCCCCCCC(C)C
InChI
InChI=1S/C21H44/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(2)3/h21H,4-20H2,1-3H3
InChIKey
MLKZKPUBHSWMNA-UHFFFAOYSA-N
Compound name
2-methylicosane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

268
Patents

296.3443 Da
Monoisotopic Mass

11.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.35158 187.8
[M+Na]+ 319.33352 188.6
[M-H]- 295.33702 185.4
[M+NH4]+ 314.37812 203.5
[M+K]+ 335.30746 184.9
[M+H-H2O]+ 279.34156 180.8
[M+HCOO]- 341.34250 205.6
[M+CH3COO]- 355.35815 213.4
[M+Na-2H]- 317.31897 185.6
[M]+ 296.34375 194.2
[M]- 296.34485 194.2
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