CID 87777

Trimethylsilyl stearate

Structural Information

Molecular Formula
C21H44O2Si
SMILES
CCCCCCCCCCCCCCCCCC(=O)O[Si](C)(C)C
InChI
InChI=1S/C21H44O2Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-24(2,3)4/h5-20H2,1-4H3
InChIKey
DDLPZVTUKLKVQB-UHFFFAOYSA-N
Compound name
trimethylsilyl octadecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3430
Patents

356.31107 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.31835 199.0
[M+Na]+ 379.30029 200.2
[M-H]- 355.30379 196.6
[M+NH4]+ 374.34489 212.9
[M+K]+ 395.27423 197.0
[M+H-H2O]+ 339.30833 192.1
[M+HCOO]- 401.30927 215.6
[M+CH3COO]- 415.32492 218.9
[M+Na-2H]- 377.28574 196.9
[M]+ 356.31052 207.5
[M]- 356.31162 207.5
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