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
10
Annotation Hits

19047
References

150167
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 124.2
[M+Na]+ 142.04746 130.1
[M-H]- 118.05096 121.5
[M+NH4]+ 137.09206 144.4
[M+K]+ 158.02140 130.3
[M+H-H2O]+ 102.05550 119.8
[M+HCOO]- 164.05644 143.9
[M+CH3COO]- 178.07209 167.9
[M+Na-2H]- 140.03291 126.4
[M]+ 119.05769 120.6
[M]- 119.05879 120.6
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.