CID 171040050

Dtxsid501021814

Structural Information

Molecular Formula
C6H13NO6Si
SMILES
C(CC(=O)O[SiH2]C(O)O)[C@@H](C(=O)O)N
InChI
InChI=1S/C6H13NO6Si/c7-3(5(9)10)1-2-4(8)13-14-6(11)12/h3,6,11-12H,1-2,7,14H2,(H,9,10)/t3-/m0/s1
InChIKey
POPPBPCHEZPJOQ-VKHMYHEASA-N
Compound name
(2S)-2-amino-5-(dihydroxymethylsilyloxy)-5-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

223.05121 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.05849 146.1
[M+Na]+ 246.04043 149.9
[M-H]- 222.04393 141.2
[M+NH4]+ 241.08503 161.5
[M+K]+ 262.01437 150.2
[M+H-H2O]+ 206.04847 140.4
[M+HCOO]- 268.04941 163.0
[M+CH3COO]- 282.06506 181.0
[M+Na-2H]- 244.02588 145.0
[M]+ 223.05066 144.6
[M]- 223.05176 144.6
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

No patent data available for this compound.