CID 3246323

O-phospho-l-threonine

Structural Information

Molecular Formula
C4H10NO6P
SMILES
C[C@H]([C@@H](C(=O)O)N)OP(=O)(O)O
InChI
InChI=1S/C4H10NO6P/c1-2(3(5)4(6)7)11-12(8,9)10/h2-3H,5H2,1H3,(H,6,7)(H2,8,9,10)/t2-,3+/m1/s1
InChIKey
USRGIUJOYOXOQJ-GBXIJSLDSA-N
Compound name
(2S,3R)-2-amino-3-phosphonooxybutanoic acid
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

1681
References

26726
Patents

199.02457 Da
Monoisotopic Mass

-4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.03185 140.6
[M+Na]+ 222.01379 145.8
[M-H]- 198.01729 135.3
[M+NH4]+ 217.05839 157.2
[M+K]+ 237.98773 146.6
[M+H-H2O]+ 182.02183 133.9
[M+HCOO]- 244.02277 163.1
[M+CH3COO]- 258.03842 178.6
[M+Na-2H]- 219.99924 140.2
[M]+ 199.02402 139.8
[M]- 199.02512 139.8
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