CID 155782

73240-15-0

Structural Information

Molecular Formula

C₅H₁₂NO₆P

SMILES

CC(=O)N(C[C@H](CP(=O)(O)O)O)O

InChI

InChI=1S/C5H12NO6P/c1-4(7)6(9)2-5(8)3-13(10,11)12/h5,8-9H,2-3H2,1H3,(H2,10,11,12)/t5-/m1/s1

InChIKey

SMXUDUOWTDBXDT-RXMQYKEDSA-N

Compound name

[(2R)-3-[acetyl(hydroxy)amino]-2-hydroxypropyl]phosphonic acid

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 3
References: 15
Patents: 213.04022 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]+	214.04750	145.0
[M+Na]+	236.02944	148.8
[M+NH4]+	231.07404	147.6
[M+K]+	252.00338	150.2
[M-H]-	212.03294	138.7
[M+Na-2H]-	234.01489	142.8
[M]+	213.03967	142.8
[M]-	213.04077	142.8

Literature stripe

literature stripe

Patent stripe

patents stripe