CID 23421193

Schembl9801771

Structural Information

Molecular Formula

C₄H₁₀NO₆P

SMILES

CC(C(C(=O)OP(=O)(O)O)N)O

InChI

InChI=1S/C4H10NO6P/c1-2(6)3(5)4(7)11-12(8,9)10/h2-3,6H,5H2,1H3,(H2,8,9,10)

InChIKey

UQZANBVFJHEGCQ-UHFFFAOYSA-N

Compound name

phosphono 2-amino-3-hydroxybutanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 199.02457 Da
Monoisotopic Mass: -4.9
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	140.9
[M+Na]+	222.013788	146.1
[M-H]-	198.017294	135.6
[M+NH4]+	217.058393	157.5
[M+K]+	237.987728	146.9
[M+H-H2O]+	182.021830	134.2
[M+HCOO]-	244.022771	163.4
[M+CH3COO]-	258.038421	178.0
[M+Na-2H]-	219.999236	140.4
[M]+	199.02402142	139.9
[M]-	199.02511858	139.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe