CID 122424

1h-pyrrole-2,5-dione, 1-[3-(triethoxysilyl)propyl]-

Structural Information

Molecular Formula
C13H23NO5Si
SMILES
CCO[Si](CCCN1C(=O)C=CC1=O)(OCC)OCC
InChI
InChI=1S/C13H23NO5Si/c1-4-17-20(18-5-2,19-6-3)11-7-10-14-12(15)8-9-13(14)16/h8-9H,4-7,10-11H2,1-3H3
InChIKey
YPKNIURCMPHHJJ-UHFFFAOYSA-N
Compound name
1-(3-triethoxysilylpropyl)pyrrole-2,5-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

257
Patents

301.13455 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.14183 168.1
[M+Na]+ 324.12377 174.5
[M-H]- 300.12727 169.7
[M+NH4]+ 319.16837 184.4
[M+K]+ 340.09771 173.6
[M+H-H2O]+ 284.13181 161.4
[M+HCOO]- 346.13275 188.7
[M+CH3COO]- 360.14840 200.7
[M+Na-2H]- 322.10922 170.2
[M]+ 301.13400 175.7
[M]- 301.13510 175.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe