CID 480920

Dodecoxymethyl-dimethyl-octyl-ammonium

Structural Information

Molecular Formula
C23H50NO
SMILES
CCCCCCCCCCCCOC[N+](C)(C)CCCCCCCC
InChI
InChI=1S/C23H50NO/c1-5-7-9-11-13-14-15-16-18-20-22-25-23-24(3,4)21-19-17-12-10-8-6-2/h5-23H2,1-4H3/q+1
InChIKey
JHMLLQBDAUUNGZ-UHFFFAOYSA-N
Compound name
dodecoxymethyl-dimethyl-octylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.38925 Da
Monoisotopic Mass

9.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.39653 201.8
[M+Na]+ 379.37847 202.1
[M-H]- 355.38197 200.8
[M+NH4]+ 374.42307 221.5
[M+K]+ 395.35241 193.5
[M+H-H2O]+ 339.38651 197.1
[M+HCOO]- 401.38745 220.8
[M+CH3COO]- 415.40310 221.9
[M+Na-2H]- 377.36392 203.7
[M]+ 356.38870 210.0
[M]- 356.38980 210.0
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.