CID 4090789

3,3'-(dimethylsilylene)bispropionic acid

Structural Information

Molecular Formula
C8H16O4Si
SMILES
C[Si](C)(CCC(=O)O)CCC(=O)O
InChI
InChI=1S/C8H16O4Si/c1-13(2,5-3-7(9)10)6-4-8(11)12/h3-6H2,1-2H3,(H,9,10)(H,11,12)
InChIKey
GBWOXZNEMWSIQQ-UHFFFAOYSA-N
Compound name
3-[2-carboxyethyl(dimethyl)silyl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

204.08179 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.08907 144.4
[M+Na]+ 227.07101 149.9
[M-H]- 203.07451 141.6
[M+NH4]+ 222.11561 162.5
[M+K]+ 243.04495 149.1
[M+H-H2O]+ 187.07905 140.1
[M+HCOO]- 249.07999 161.9
[M+CH3COO]- 263.09564 179.3
[M+Na-2H]- 225.05646 147.1
[M]+ 204.08124 145.6
[M]- 204.08234 145.6
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

patents stripe