CID 9807253

62117-57-1

Structural Information

Molecular Formula
C29H64NO3Si
SMILES
CCCCCCCCCCCCCCCCCC[N+](C)(C)CCC[Si](OCC)(OCC)OCC
InChI
InChI=1S/C29H64NO3Si/c1-7-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-27-30(5,6)28-26-29-34(31-8-2,32-9-3)33-10-4/h7-29H2,1-6H3/q+1
InChIKey
ADUSEOXLGLLZKO-UHFFFAOYSA-N
Compound name
dimethyl-octadecyl-(3-triethoxysilylpropyl)azanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

540
Patents

502.46555 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 503.47283 249.5
[M+Na]+ 525.45477 254.6
[M-H]- 501.45827 238.3
[M+NH4]+ 520.49937 250.4
[M+K]+ 541.42871 253.2
[M+H-H2O]+ 485.46281 241.1
[M+HCOO]- 547.46375 265.1
[M+CH3COO]- 561.47940 246.3
[M+Na-2H]- 523.44022 234.0
[M]+ 502.46500 250.6
[M]- 502.46610 250.6
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