CID 18519354

Stearoxypropyltrimonium chloride

Structural Information

Molecular Formula
C24H52NO
SMILES
CCCCCCCCCCCCCCCCCCOCCC[N+](C)(C)C
InChI
InChI=1S/C24H52NO/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-26-24-21-22-25(2,3)4/h5-24H2,1-4H3/q+1
InChIKey
OWMLFDGBZCHKOL-UHFFFAOYSA-N
Compound name
trimethyl(3-octadecoxypropyl)azanium
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

970
Patents

370.40488 Da
Monoisotopic Mass

9.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.41216 206.3
[M+Na]+ 393.39410 206.2
[M-H]- 369.39760 205.1
[M+NH4]+ 388.43870 225.2
[M+K]+ 409.36804 197.3
[M+H-H2O]+ 353.40214 201.4
[M+HCOO]- 415.40308 243.8
[M+CH3COO]- 429.41873 224.9
[M+Na-2H]- 391.37955 207.6
[M]+ 370.40433 214.9
[M]- 370.40543 214.9
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

patents stripe