CID 16684679

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

Structural Information

Molecular Formula
C14H29GeNOS
SMILES
CC(C)CC[Ge]1(N(CCS1)C(=O)C)CCC(C)C
InChI
InChI=1S/C14H29GeNOS/c1-12(2)6-8-15(9-7-13(3)4)16(14(5)17)10-11-18-15/h12-13H,6-11H2,1-5H3
InChIKey
WPYKKMRNRALBMQ-UHFFFAOYSA-N
Compound name
1-[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

333.11816 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.12544 178.8
[M+Na]+ 356.10738 182.6
[M-H]- 332.11088 179.5
[M+NH4]+ 351.15198 197.6
[M+K]+ 372.08132 180.4
[M+H-H2O]+ 316.11542 172.7
[M+HCOO]- 378.11636 189.3
[M+CH3COO]- 392.13201 202.3
[M+Na-2H]- 354.09283 172.8
[M]+ 333.11761 181.1
[M]- 333.11871 181.1
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.