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
2
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 164.8
[M+Na]+ 322.07174 168.6
[M-H]- 298.07524 162.7
[M+NH4]+ 317.11634 177.0
[M+K]+ 338.04568 167.0
[M+H-H2O]+ 282.07978 158.4
[M+HCOO]- 344.08072 180.5
[M+CH3COO]- 358.09637 195.7
[M+Na-2H]- 320.05719 162.8
[M]+ 299.08197 163.2
[M]- 299.08307 163.2
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