CID 157847

Behentrimonium methosulfate

Structural Information

Molecular Formula
C25H54N
SMILES
CCCCCCCCCCCCCCCCCCCCCC[N+](C)(C)C
InChI
InChI=1S/C25H54N/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26(2,3)4/h5-25H2,1-4H3/q+1
InChIKey
UCYFZDNMZYZSPN-UHFFFAOYSA-N
Compound name
docosyl(trimethyl)azanium
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

4
References

29147
Patents

368.42563 Da
Monoisotopic Mass

11.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.43291 204.2
[M+Na]+ 391.41485 213.3
[M+NH4]+ 386.45945 211.5
[M+K]+ 407.38879 203.4
[M-H]- 367.41835 206.3
[M+Na-2H]- 389.40030 205.9
[M]+ 368.42508 206.5
[M]- 368.42618 206.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe