CID 162761

54849-39-7

Structural Information

Molecular Formula
C13H28O2SSn
SMILES
CC(C)CCCCCOC(=O)CS[Sn](C)(C)C
InChI
InChI=1S/C10H20O2S.3CH3.Sn/c1-9(2)6-4-3-5-7-12-10(11)8-13;;;;/h9,13H,3-8H2,1-2H3;3*1H3;/q;;;;+1/p-1
InChIKey
OYLOJAUHESQAGW-UHFFFAOYSA-M
Compound name
6-methylheptyl 2-trimethylstannylsulfanylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.0832 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.09048 187.4
[M+Na]+ 391.07242 190.6
[M-H]- 367.07592 185.9
[M+NH4]+ 386.11702 203.8
[M+K]+ 407.04636 188.3
[M+H-H2O]+ 351.08046 180.6
[M+HCOO]- 413.08140 199.1
[M+CH3COO]- 427.09705 203.4
[M+Na-2H]- 389.05787 183.4
[M]+ 368.08265 194.2
[M]- 368.08375 194.2
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

No patent data available for this compound.