CID 16684681

3-acetyl-2,2-bis(3-methylbutyl)-5-methyl-1,3,2-thiazagermolidine

Structural Information

Molecular Formula
C15H31GeNOS
SMILES
CC1CN([Ge](S1)(CCC(C)C)CCC(C)C)C(=O)C
InChI
InChI=1S/C15H31GeNOS/c1-12(2)7-9-16(10-8-13(3)4)17(15(6)18)11-14(5)19-16/h12-14H,7-11H2,1-6H3
InChIKey
FABIOXBOMYRVCJ-UHFFFAOYSA-N
Compound name
1-[5-methyl-2,2-bis(3-methylbutyl)-1,3,2-thiazagermolidin-3-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

347.13382 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.14110 181.5
[M+Na]+ 370.12304 185.8
[M-H]- 346.12654 182.5
[M+NH4]+ 365.16764 200.2
[M+K]+ 386.09698 183.4
[M+H-H2O]+ 330.13108 175.7
[M+HCOO]- 392.13202 191.8
[M+CH3COO]- 406.14767 206.4
[M+Na-2H]- 368.10849 174.6
[M]+ 347.13327 184.7
[M]- 347.13437 184.7
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.