CID 3079053

Brn 5933173

Structural Information

Molecular Formula
C9H20N2O3SSi
SMILES
CC(CN)S[Si]12OCCN(CCO1)CCO2
InChI
InChI=1S/C9H20N2O3SSi/c1-9(8-10)15-16-12-5-2-11(3-6-13-16)4-7-14-16/h9H,2-8,10H2,1H3
InChIKey
NURFKNFLGJMMMI-UHFFFAOYSA-N
Compound name
2-(2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecan-1-ylsulfanyl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.0964 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.10368 114.6
[M+Na]+ 287.08562 114.7
[M-H]- 263.08912 114.6
[M+NH4]+ 282.13022 114.6
[M+K]+ 303.05956 114.7
[M+H-H2O]+ 247.09366 114.5
[M+HCOO]- 309.09460 114.6
[M+CH3COO]- 323.11025 114.6
[M+Na-2H]- 285.07107 114.5
[M]+ 264.09585 114.6
[M]- 264.09695 114.6
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.