CID 16683280

4027-13-8

Structural Information

Molecular Formula
C30H62O2Sn
SMILES
CCCCCCCCCCCCCCCCCC(=O)O[Sn](CCCC)(CCCC)CCCC
InChI
InChI=1S/C18H36O2.3C4H9.Sn/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;3*1-3-4-2;/h2-17H2,1H3,(H,19,20);3*1,3-4H2,2H3;/q;;;;+1/p-1
InChIKey
GQZXITZWLBSSOI-UHFFFAOYSA-M
Compound name
tributylstannyl octadecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

46
Patents

574.3772 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 575.38448 256.3
[M+Na]+ 597.36642 262.8
[M-H]- 573.36992 241.1
[M+NH4]+ 592.41102 256.9
[M+K]+ 613.34036 263.4
[M+H-H2O]+ 557.37446 247.8
[M+HCOO]- 619.37540 265.9
[M+CH3COO]- 633.39105 248.9
[M+Na-2H]- 595.35187 240.4
[M]+ 574.37665 256.2
[M]- 574.37775 256.2
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