CID 16684688

1,3,2-thiazagermolidine, 2,2-bis(3-methylbutyl)-3-glycyl-, hydrobromide

Structural Information

Molecular Formula
C14H30GeN2OS
SMILES
CC(C)CC[Ge]1(N(CCS1)C(=O)CN)CCC(C)C
InChI
InChI=1S/C14H30GeN2OS/c1-12(2)5-7-15(8-6-13(3)4)17(9-10-19-15)14(18)11-16/h12-13H,5-11,16H2,1-4H3
InChIKey
YNETWNJOPRPSAI-UHFFFAOYSA-N
Compound name
2-amino-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

348.12906 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.13634 183.0
[M+Na]+ 371.11828 185.8
[M-H]- 347.12178 183.0
[M+NH4]+ 366.16288 200.6
[M+K]+ 387.09222 183.2
[M+H-H2O]+ 331.12632 176.5
[M+HCOO]- 393.12726 193.9
[M+CH3COO]- 407.14291 206.5
[M+Na-2H]- 369.10373 176.7
[M]+ 348.12851 183.6
[M]- 348.12961 183.6
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.