CID 8156

Stearyltrimethylammonium

Structural Information

Molecular Formula
C21H46N
SMILES
CCCCCCCCCCCCCCCCCC[N+](C)(C)C
InChI
InChI=1S/C21H46N/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(2,3)4/h5-21H2,1-4H3/q+1
InChIKey
PDSVZUAJOIQXRK-UHFFFAOYSA-N
Compound name
trimethyl(octadecyl)azanium
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

111
References

65902
Patents

312.36304 Da
Monoisotopic Mass

9.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.37032 189.2
[M+Na]+ 335.35226 190.3
[M-H]- 311.35576 188.6
[M+NH4]+ 330.39686 204.8
[M+K]+ 351.32620 181.8
[M+H-H2O]+ 295.36030 185.1
[M+HCOO]- 357.36124 208.6
[M+CH3COO]- 371.37689 214.3
[M+Na-2H]- 333.33771 192.0
[M]+ 312.36249 195.2
[M]- 312.36359 195.2
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