CID 55288577

Akos006359820

Structural Information

Molecular Formula
C5H11NO4
SMILES
C[C@](CN)([C@@H](C(=O)O)O)O
InChI
InChI=1S/C5H11NO4/c1-5(10,2-6)3(7)4(8)9/h3,7,10H,2,6H2,1H3,(H,8,9)/t3-,5+/m1/s1
InChIKey
PHDZURAOZBRVMD-WUJLRWPWSA-N
Compound name
(2S,3S)-4-amino-2,3-dihydroxy-3-methylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

149.0688 Da
Monoisotopic Mass

-4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.07608 130.1
[M+Na]+ 172.05802 135.7
[M+NH4]+ 167.10262 134.7
[M+K]+ 188.03196 135.5
[M-H]- 148.06152 125.7
[M+Na-2H]- 170.04347 130.0
[M]+ 149.06825 128.9
[M]- 149.06935 128.9
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.