CID 59168886

Dtxsid801370298

Structural Information

Molecular Formula
C26H54NO2
SMILES
CCCCCCCCCCCCCCOCC1C[N+](CO1)(CCCC)CCCC
InChI
InChI=1S/C26H54NO2/c1-4-7-10-11-12-13-14-15-16-17-18-19-22-28-24-26-23-27(25-29-26,20-8-5-2)21-9-6-3/h26H,4-25H2,1-3H3/q+1
InChIKey
NCOPLDNADHJRGS-UHFFFAOYSA-N
Compound name
3,3-dibutyl-5-(tetradecoxymethyl)-1,3-oxazolidin-3-ium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

7
Patents

412.41547 Da
Monoisotopic Mass

9.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.42275 214.4
[M+Na]+ 435.40469 214.1
[M-H]- 411.40819 213.8
[M+NH4]+ 430.44929 226.2
[M+K]+ 451.37863 205.0
[M+H-H2O]+ 395.41273 208.8
[M+HCOO]- 457.41367 228.8
[M+CH3COO]- 471.42932 223.7
[M+Na-2H]- 433.39014 213.3
[M]+ 412.41492 221.1
[M]- 412.41602 221.1
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.