CID 480906

Dodecyl[(ethylhexyloxy)methyl]dimethylamine, chloride

Structural Information

Molecular Formula
C23H50NO
SMILES
CCCCCCCCCCCC[N+](C)(C)COC(CC)CCCCC
InChI
InChI=1S/C23H50NO/c1-6-9-11-12-13-14-15-16-17-19-21-24(4,5)22-25-23(8-3)20-18-10-7-2/h23H,6-22H2,1-5H3/q+1
InChIKey
JYWHPPMDBKKJPL-UHFFFAOYSA-N
Compound name
dodecyl-dimethyl-(octan-3-yloxymethyl)azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.38925 Da
Monoisotopic Mass

9.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.39653 202.2
[M+Na]+ 379.37847 202.3
[M-H]- 355.38197 201.3
[M+NH4]+ 374.42307 221.9
[M+K]+ 395.35241 194.1
[M+H-H2O]+ 339.38651 197.6
[M+HCOO]- 401.38745 237.0
[M+CH3COO]- 415.40310 222.5
[M+Na-2H]- 377.36392 202.8
[M]+ 356.38870 209.7
[M]- 356.38980 209.7
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.