CID 4068234

N-(4-methoxy-4-oxobutyl)-n,n-dimethyl-1-dodecanaminium iodide

Structural Information

Molecular Formula
C19H40NO2
SMILES
CCCCCCCCCCCC[N+](C)(C)CCCC(=O)OC
InChI
InChI=1S/C19H40NO2/c1-5-6-7-8-9-10-11-12-13-14-17-20(2,3)18-15-16-19(21)22-4/h5-18H2,1-4H3/q+1
InChIKey
QPRRMVZSBITXFM-UHFFFAOYSA-N
Compound name
dodecyl-(4-methoxy-4-oxobutyl)-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.3059 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.31318 182.7
[M+Na]+ 337.29512 191.7
[M+NH4]+ 332.33972 189.5
[M+K]+ 353.26906 185.1
[M-H]- 313.29862 183.5
[M+Na-2H]- 335.28057 184.6
[M]+ 314.30535 184.4
[M]- 314.30645 184.4
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.