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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	200.031846	141.2
[M+Na]+	222.013788	146.1
[M-H]-	198.017294	134.9
[M+NH4]+	217.058393	157.3
[M+K]+	237.987728	145.8
[M+H-H2O]+	182.021830	134.5
[M+HCOO]-	244.022771	163.8
[M+CH3COO]-	258.038421	175.9
[M+Na-2H]-	219.999236	142.5
[M]+	199.02402142	140.1
[M]-	199.02511858	140.1

Literature stripe

literature stripe

Patent stripe

patents stripe