CID 21149807

Bis(2-hydroxypropyl)methyl(octadecyl)ammonium methyl sulphate

Structural Information

Molecular Formula
C25H54NO2
SMILES
CCCCCCCCCCCCCCCCCC[N+](C)(CC(C)O)CC(C)O
InChI
InChI=1S/C25H54NO2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-26(4,22-24(2)27)23-25(3)28/h24-25,27-28H,5-23H2,1-4H3/q+1
InChIKey
JKSBHVYQMZLTGY-UHFFFAOYSA-N
Compound name
bis(2-hydroxypropyl)-methyl-octadecylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

400.41547 Da
Monoisotopic Mass

8.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.42275 210.1
[M+Na]+ 423.40469 216.3
[M+NH4]+ 418.44929 191.9
[M+K]+ 439.37863 209.8
[M-H]- 399.40819 209.5
[M+Na-2H]- 421.39014 209.0
[M]+ 400.41492 210.9
[M]- 400.41602 210.9
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.