CID 55288577

(2s,3s)-4-amino-2,3-dihydroxy-3-methylbutanoic acid

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 130.8
[M+Na]+ 172.05802 136.4
[M-H]- 148.06152 126.7
[M+NH4]+ 167.10262 149.2
[M+K]+ 188.03196 135.9
[M+H-H2O]+ 132.06606 126.8
[M+HCOO]- 194.06700 148.3
[M+CH3COO]- 208.08265 170.1
[M+Na-2H]- 170.04347 134.1
[M]+ 149.06825 127.3
[M]- 149.06935 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.