CID 3006781

Chembl1185902

Structural Information

Molecular Formula
C24H48NO4
SMILES
CCCCCCCCCCCCOC(=O)C[C@H](C[N+](C)(C)C)OC(=O)CC(C)C
InChI
InChI=1S/C24H48NO4/c1-7-8-9-10-11-12-13-14-15-16-17-28-23(26)19-22(20-25(4,5)6)29-24(27)18-21(2)3/h21-22H,7-20H2,1-6H3/q+1/t22-/m1/s1
InChIKey
WEUUPONFBIMJBD-JOCHJYFZSA-N
Compound name
[(2R)-4-dodecoxy-2-(3-methylbutanoyloxy)-4-oxobutyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

414.35834 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.36562 220.2
[M+Na]+ 437.34756 229.3
[M-H]- 413.35106 217.1
[M+NH4]+ 432.39216 227.6
[M+K]+ 453.32150 225.3
[M+H-H2O]+ 397.35560 217.1
[M+HCOO]- 459.35654 229.6
[M+CH3COO]- 473.37219 229.2
[M+Na-2H]- 435.33301 210.9
[M]+ 414.35779 220.9
[M]- 414.35889 220.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.