CID 480925

(cyclododecyloxymethyl)dimethyloctylamine, chloride

Structural Information

Molecular Formula
C23H48NO
SMILES
CCCCCCCC[N+](C)(C)COC1CCCCCCCCCCC1
InChI
InChI=1S/C23H48NO/c1-4-5-6-7-15-18-21-24(2,3)22-25-23-19-16-13-11-9-8-10-12-14-17-20-23/h23H,4-22H2,1-3H3/q+1
InChIKey
OSNJYCOLZPIDTI-UHFFFAOYSA-N
Compound name
cyclododecyloxymethyl-dimethyl-octylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.3736 Da
Monoisotopic Mass

8.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.38088 192.8
[M+Na]+ 377.36282 189.8
[M-H]- 353.36632 192.2
[M+NH4]+ 372.40742 202.9
[M+K]+ 393.33676 182.7
[M+H-H2O]+ 337.37086 190.7
[M+HCOO]- 399.37180 206.4
[M+CH3COO]- 413.38745 210.1
[M+Na-2H]- 375.34827 193.2
[M]+ 354.37305 185.5
[M]- 354.37415 185.5
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.