CID 16958

Didecyldimethylammonium

Structural Information

Molecular Formula
C22H48N
SMILES
CCCCCCCCCC[N+](C)(C)CCCCCCCCCC
InChI
InChI=1S/C22H48N/c1-5-7-9-11-13-15-17-19-21-23(3,4)22-20-18-16-14-12-10-8-6-2/h5-22H2,1-4H3/q+1
InChIKey
JGFDZZLUDWMUQH-UHFFFAOYSA-N
Compound name
didecyl(dimethyl)azanium
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

170
References

56686
Patents

326.37866 Da
Monoisotopic Mass

9.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.38594 193.7
[M+Na]+ 349.36788 194.5
[M-H]- 325.37138 193.0
[M+NH4]+ 344.41248 208.8
[M+K]+ 365.34182 185.7
[M+H-H2O]+ 309.37592 189.4
[M+HCOO]- 371.37686 212.8
[M+CH3COO]- 385.39251 217.3
[M+Na-2H]- 347.35333 196.0
[M]+ 326.37811 200.1
[M]- 326.37921 200.1
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