CID 6288

L-threonine

Structural Information

Molecular Formula
C4H9NO3
SMILES
C[C@H]([C@@H](C(=O)O)N)O
InChI
InChI=1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/t2-,3+/m1/s1
InChIKey
AYFVYJQAPQTCCC-GBXIJSLDSA-N
Compound name
(2S,3R)-2-amino-3-hydroxybutanoic acid
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

19024
References

129837
Patents

119.05824 Da
Monoisotopic Mass

-2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 120.06552 123.5
[M+Na]+ 142.04746 130.4
[M+NH4]+ 137.09206 129.4
[M+K]+ 158.02140 129.1
[M-H]- 118.05096 120.7
[M+Na-2H]- 140.03291 124.4
[M]+ 119.05769 123.0
[M]- 119.05879 123.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe