CID 3545332

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

Structural Information

Molecular Formula
C15H32NO2
SMILES
CCCCCCCC[N+](C)(C)CCCC(=O)OC
InChI
InChI=1S/C15H32NO2/c1-5-6-7-8-9-10-13-16(2,3)14-11-12-15(17)18-4/h5-14H2,1-4H3/q+1
InChIKey
JDMHBFTYVDOJTE-UHFFFAOYSA-N
Compound name
(4-methoxy-4-oxobutyl)-dimethyl-octylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.24332 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.25060 166.9
[M+Na]+ 281.23254 170.7
[M-H]- 257.23604 167.7
[M+NH4]+ 276.27714 184.6
[M+K]+ 297.20648 164.5
[M+H-H2O]+ 241.24058 163.9
[M+HCOO]- 303.24152 188.1
[M+CH3COO]- 317.25717 198.6
[M+Na-2H]- 279.21799 172.0
[M]+ 258.24277 172.0
[M]- 258.24387 172.0
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.