CID 170841420

Dtxsid301371984

Structural Information

Molecular Formula
C12H25NO4SSi
SMILES
CO[Si](CCCSCCN1CCCC1=O)(OC)OC
InChI
InChI=1S/C12H25NO4SSi/c1-15-19(16-2,17-3)11-5-9-18-10-8-13-7-4-6-12(13)14/h4-11H2,1-3H3
InChIKey
ZXCYOUCGYMPEJV-UHFFFAOYSA-N
Compound name
1-[2-(3-trimethoxysilylpropylsulfanyl)ethyl]pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.12735 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.13463 172.6
[M+Na]+ 330.11657 177.4
[M-H]- 306.12007 173.7
[M+NH4]+ 325.16117 189.1
[M+K]+ 346.09051 176.2
[M+H-H2O]+ 290.12461 165.9
[M+HCOO]- 352.12555 186.6
[M+CH3COO]- 366.14120 199.3
[M+Na-2H]- 328.10202 171.7
[M]+ 307.12680 179.6
[M]- 307.12790 179.6
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.