CID 83309

1-hexadecanaminium, n,n,n-triethyl-, chloride

Structural Information

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

2D Structure

compound 2d structure
3
Annotation Hits

15
References

4763
Patents

326.37866 Da
Monoisotopic Mass

9.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.385936 193.7
[M+Na]+ 349.367878 194.5
[M-H]- 325.371384 193.0
[M+NH4]+ 344.412483 208.8
[M+K]+ 365.341818 185.7
[M+H-H2O]+ 309.375920 189.4
[M+HCOO]- 371.376861 212.8
[M+CH3COO]- 385.392511 217.3
[M+Na-2H]- 347.353326 196.0
[M]+ 326.37811142 200.1
[M]- 326.37920858 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