CID 8153

Dodecyltrimethylammonium

Structural Information

Molecular Formula
C15H34N
SMILES
CCCCCCCCCCCC[N+](C)(C)C
InChI
InChI=1S/C15H34N/c1-5-6-7-8-9-10-11-12-13-14-15-16(2,3)4/h5-15H2,1-4H3/q+1
InChIKey
VICYBMUVWHJEFT-UHFFFAOYSA-N
Compound name
dodecyl(trimethyl)azanium
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

504
References

88795
Patents

228.26912 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.27640 161.4
[M+Na]+ 251.25834 165.0
[M-H]- 227.26184 162.0
[M+NH4]+ 246.30294 180.4
[M+K]+ 267.23228 158.2
[M+H-H2O]+ 211.26638 158.5
[M+HCOO]- 273.26732 182.8
[M+CH3COO]- 287.28297 196.2
[M+Na-2H]- 249.24379 167.4
[M]+ 228.26857 165.1
[M]- 228.26967 165.1
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