CID 18439579

1-deoxy-1-imino-d-erythrose 4-phosphate

Structural Information

Molecular Formula
C4H10NO6P
SMILES
C([C@H]([C@H](C=N)O)O)OP(=O)(O)O
InChI
InChI=1S/C4H10NO6P/c5-1-3(6)4(7)2-11-12(8,9)10/h1,3-7H,2H2,(H2,8,9,10)/t3-,4+/m0/s1
InChIKey
PXPUXFCEGUOIKX-IUYQGCFVSA-N
Compound name
[(2R,3S)-2,3-dihydroxy-4-iminobutyl] dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

199.02457 Da
Monoisotopic Mass

-3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.03185 141.0
[M+Na]+ 222.01379 144.8
[M+NH4]+ 217.05839 143.6
[M+K]+ 237.98773 145.9
[M-H]- 198.01729 134.5
[M+Na-2H]- 219.99924 138.9
[M]+ 199.02402 138.7
[M]- 199.02512 138.7
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

No patent data available for this compound.