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 185.7
[M+Na]+ 337.29512 187.7
[M-H]- 313.29862 185.6
[M+NH4]+ 332.33972 201.1
[M+K]+ 353.26906 180.5
[M+H-H2O]+ 297.30316 181.8
[M+HCOO]- 359.30410 205.5
[M+CH3COO]- 373.31975 210.6
[M+Na-2H]- 335.28057 188.6
[M]+ 314.30535 192.3
[M]- 314.30645 192.3
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.