CID 52688

Brn 2087420

Structural Information

Molecular Formula

C₅H₁₂NO₄P

SMILES

CC(CP(=O)(C)O)(C(=O)O)N

InChI

InChI=1S/C5H12NO4P/c1-5(6,4(7)8)3-11(2,9)10/h3,6H2,1-2H3,(H,7,8)(H,9,10)

InChIKey

HBKBFGMDAYZRHG-UHFFFAOYSA-N

Compound name

2-amino-3-[hydroxy(methyl)phosphoryl]-2-methylpropanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 181.0504 Da
Monoisotopic Mass: -4.5
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]+	182.057676	140.6
[M+Na]+	204.039618	146.9
[M-H]-	180.043124	136.8
[M+NH4]+	199.084223	159.0
[M+K]+	220.013558	146.5
[M+H-H2O]+	164.047660	134.6
[M+HCOO]-	226.048601	164.2
[M+CH3COO]-	240.064251	178.0
[M+Na-2H]-	202.025066	143.3
[M]+	181.04985142	139.9
[M]-	181.05094858	139.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.