CID 55288577

Refchem:398861

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]+ 150.076076 130.8
[M+Na]+ 172.058018 136.4
[M-H]- 148.061524 126.7
[M+NH4]+ 167.102623 149.2
[M+K]+ 188.031958 135.9
[M+H-H2O]+ 132.066060 126.8
[M+HCOO]- 194.067001 148.3
[M+CH3COO]- 208.082651 170.1
[M+Na-2H]- 170.043466 134.1
[M]+ 149.06825142 127.3
[M]- 149.06934858 127.3
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.