CID 440901

4-(phosphonooxy)-l-threonine

Structural Information

Molecular Formula
C4H10NO7P
SMILES
C([C@H]([C@@H](C(=O)O)N)O)OP(=O)(O)O
InChI
InChI=1S/C4H10NO7P/c5-3(4(7)8)2(6)1-12-13(9,10)11/h2-3,6H,1,5H2,(H,7,8)(H2,9,10,11)/t2-,3+/m1/s1
InChIKey
FKHAKIJOKDGEII-GBXIJSLDSA-N
Compound name
(2S,3S)-2-amino-3-hydroxy-4-phosphonooxybutanoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

9
References

32
Patents

215.01949 Da
Monoisotopic Mass

-5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.02677 143.6
[M+Na]+ 238.00871 146.3
[M+NH4]+ 233.05331 145.3
[M+K]+ 253.98265 149.0
[M-H]- 214.01221 136.1
[M+Na-2H]- 235.99416 140.2
[M]+ 215.01894 140.7
[M]- 215.02004 140.7
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

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