CID 91975068

Dtxsid401021659

Structural Information

Molecular Formula
C12H17NO6Si
SMILES
CC(=O)N[C@@H](CC1=C(C=C(C=C1)O)[SiH2]C(O)O)C(=O)O
InChI
InChI=1S/C12H17NO6Si/c1-6(14)13-9(11(16)17)4-7-2-3-8(15)5-10(7)20-12(18)19/h2-3,5,9,12,15,18-19H,4,20H2,1H3,(H,13,14)(H,16,17)/t9-/m0/s1
InChIKey
KSMIHFDFGRWSAV-VIFPVBQESA-N
Compound name
(2S)-2-acetamido-3-[2-(dihydroxymethylsilyl)-4-hydroxyphenyl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

299.08252 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.08980 165.5
[M+Na]+ 322.07174 171.5
[M+NH4]+ 317.11634 168.3
[M+K]+ 338.04568 170.9
[M-H]- 298.07524 162.3
[M+Na-2H]- 320.05719 165.3
[M]+ 299.08197 164.6
[M]- 299.08307 164.6
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