CID 106928

Methyltintris(2-(3,5,5-trimethylhexanoyloxy)ethylmercaptide)

Structural Information

Molecular Formula
C34H66O6S3Sn
SMILES
CC(CC(=O)OCCS[Sn](C)(SCCOC(=O)CC(C)CC(C)(C)C)SCCOC(=O)CC(C)CC(C)(C)C)CC(C)(C)C
InChI
InChI=1S/3C11H22O2S.CH3.Sn/c3*1-9(8-11(2,3)4)7-10(12)13-5-6-14;;/h3*9,14H,5-8H2,1-4H3;1H3;/q;;;;+3/p-3
InChIKey
BABFIOGTMBXLHI-UHFFFAOYSA-K
Compound name
2-[methyl-bis[2-(3,5,5-trimethylhexanoyloxy)ethylsulfanyl]stannyl]sulfanylethyl 3,5,5-trimethylhexanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

786.3044 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 787.31168 285.2
[M+Na]+ 809.29362 285.2
[M-H]- 785.29712 278.0
[M+NH4]+ 804.33822 297.6
[M+K]+ 825.26756 296.4
[M+H-H2O]+ 769.30166 280.2
[M+HCOO]- 831.30260 282.1
[M+CH3COO]- 845.31825 273.8
[M+Na-2H]- 807.27907 268.4
[M]+ 786.30385 293.8
[M]- 786.30495 293.8
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