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

9
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 141.2
[M+Na]+ 222.01379 146.1
[M-H]- 198.01729 134.9
[M+NH4]+ 217.05839 157.3
[M+K]+ 237.98773 145.8
[M+H-H2O]+ 182.02183 134.5
[M+HCOO]- 244.02277 163.8
[M+CH3COO]- 258.03842 175.9
[M+Na-2H]- 219.99924 142.5
[M]+ 199.02402 140.1
[M]- 199.02512 140.1
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