CID 480904

Dodecyl[(2-ethylpentyloxy)methyl]dimethylamine, chloride

Structural Information

Molecular Formula
C22H48NO
SMILES
CCCCCCCCCCCC[N+](C)(C)COCC(CC)CCC
InChI
InChI=1S/C22H48NO/c1-6-9-10-11-12-13-14-15-16-17-19-23(4,5)21-24-20-22(8-3)18-7-2/h22H,6-21H2,1-5H3/q+1
InChIKey
RZEQVEJPFXJERY-UHFFFAOYSA-N
Compound name
dodecyl-(2-ethylpentoxymethyl)-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.3736 Da
Monoisotopic Mass

8.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.38088 197.7
[M+Na]+ 365.36282 198.1
[M-H]- 341.36632 196.9
[M+NH4]+ 360.40742 212.0
[M+K]+ 381.33676 190.2
[M+H-H2O]+ 325.37086 193.2
[M+HCOO]- 387.37180 216.0
[M+CH3COO]- 401.38745 219.5
[M+Na-2H]- 363.34827 198.8
[M]+ 342.37305 204.7
[M]- 342.37415 204.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.