CID 61907

Quaternium-24 cation

Structural Information

Molecular Formula
C20H44N
SMILES
CCCCCCCCCC[N+](C)(C)CCCCCCCC
InChI
InChI=1S/C20H44N/c1-5-7-9-11-13-14-16-18-20-21(3,4)19-17-15-12-10-8-6-2/h5-20H2,1-4H3/q+1
InChIKey
JVCWUSHFUPUBHQ-UHFFFAOYSA-N
Compound name
decyl-dimethyl-octylazanium
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

1
References

4859
Patents

298.34738 Da
Monoisotopic Mass

8.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.35466 184.6
[M+Na]+ 321.33660 186.2
[M-H]- 297.34010 184.2
[M+NH4]+ 316.38120 200.8
[M+K]+ 337.31054 177.9
[M+H-H2O]+ 281.34464 180.7
[M+HCOO]- 343.34558 204.3
[M+CH3COO]- 357.36123 211.3
[M+Na-2H]- 319.32205 187.9
[M]+ 298.34683 190.2
[M]- 298.34793 190.2
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