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]+ 315.313176 185.7
[M+Na]+ 337.295118 187.7
[M-H]- 313.298624 185.6
[M+NH4]+ 332.339723 201.1
[M+K]+ 353.269058 180.5
[M+H-H2O]+ 297.303160 181.8
[M+HCOO]- 359.304101 205.5
[M+CH3COO]- 373.319751 210.6
[M+Na-2H]- 335.280566 188.6
[M]+ 314.30535142 192.3
[M]- 314.30644858 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.