CID 21118183

N-[3-(triethoxysilyl)propyl]-beta-alanine

Structural Information

Molecular Formula
C12H27NO5Si
SMILES
CCO[Si](CCCNCCC(=O)O)(OCC)OCC
InChI
InChI=1S/C12H27NO5Si/c1-4-16-19(17-5-2,18-6-3)11-7-9-13-10-8-12(14)15/h13H,4-11H2,1-3H3,(H,14,15)
InChIKey
MVQOZZBMHPLEMF-UHFFFAOYSA-N
Compound name
3-(3-triethoxysilylpropylamino)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

293.16586 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.17314 168.1
[M+Na]+ 316.15508 173.3
[M+NH4]+ 311.19968 171.8
[M+K]+ 332.12902 170.1
[M-H]- 292.15858 164.3
[M+Na-2H]- 314.14053 167.5
[M]+ 293.16531 167.2
[M]- 293.16641 167.2
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