CID 62254

Disiquonium chloride

Structural Information

Molecular Formula
C27H60NO3Si
SMILES
CCCCCCCCCC[N+](C)(CCCCCCCCCC)CCC[Si](OC)(OC)OC
InChI
InChI=1S/C27H60NO3Si/c1-7-9-11-13-15-17-19-21-24-28(3,25-22-20-18-16-14-12-10-8-2)26-23-27-32(29-4,30-5)31-6/h7-27H2,1-6H3/q+1
InChIKey
CZIAHOKVOQSYHN-UHFFFAOYSA-N
Compound name
didecyl-methyl-(3-trimethoxysilylpropyl)azanium
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

669
Patents

474.43423 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 475.44151 242.2
[M+Na]+ 497.42345 247.7
[M-H]- 473.42695 231.9
[M+NH4]+ 492.46805 243.3
[M+K]+ 513.39739 245.5
[M+H-H2O]+ 457.43149 234.2
[M+HCOO]- 519.43243 258.6
[M+CH3COO]- 533.44808 240.5
[M+Na-2H]- 495.40890 227.7
[M]+ 474.43368 243.6
[M]- 474.43478 243.6
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