CID 90450

Trioctylpropylammonium bromide

Structural Information

Molecular Formula
C27H58N
SMILES
CCCCCCCC[N+](CCC)(CCCCCCCC)CCCCCCCC
InChI
InChI=1S/C27H58N/c1-5-9-12-15-18-21-25-28(24-8-4,26-22-19-16-13-10-6-2)27-23-20-17-14-11-7-3/h5-27H2,1-4H3/q+1
InChIKey
JQVDSCBBKYAPBH-UHFFFAOYSA-N
Compound name
trioctyl(propyl)azanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

596
Patents

396.45694 Da
Monoisotopic Mass

11.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.46422 213.0
[M+Na]+ 419.44616 221.6
[M+NH4]+ 414.49076 220.0
[M+K]+ 435.42010 211.3
[M-H]- 395.44966 214.9
[M+Na-2H]- 417.43161 214.2
[M]+ 396.45639 215.1
[M]- 396.45749 215.1
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