CID 28337

Tetrakis(decyl)ammonium bromide

Structural Information

Molecular Formula
C40H84N
SMILES
CCCCCCCCCC[N+](CCCCCCCCCC)(CCCCCCCCCC)CCCCCCCCCC
InChI
InChI=1S/C40H84N/c1-5-9-13-17-21-25-29-33-37-41(38-34-30-26-22-18-14-10-6-2,39-35-31-27-23-19-15-11-7-3)40-36-32-28-24-20-16-12-8-4/h5-40H2,1-4H3/q+1
InChIKey
LKVHMIDEEJWEAI-UHFFFAOYSA-N
Compound name
tetrakis-decylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1277
Patents

578.6604 Da
Monoisotopic Mass

18.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 579.66768 284.2
[M+Na]+ 601.64962 288.9
[M-H]- 577.65312 264.6
[M+NH4]+ 596.69422 280.9
[M+K]+ 617.62356 290.6
[M+H-H2O]+ 561.65766 275.7
[M+HCOO]- 623.65860 294.7
[M+CH3COO]- 637.67425 269.4
[M+Na-2H]- 599.63507 264.6
[M]+ 578.65985 283.6
[M]- 578.66095 283.6
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