CID 2734887

66254-56-6

Structural Information

Molecular Formula

C₄H₁₂NO₃P

SMILES

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

InChI

InChI=1S/C4H12NO3P/c1-3(2)4(5)9(6,7)8/h3-4H,5H2,1-2H3,(H2,6,7,8)/t4-/m1/s1

InChIKey

DGSLPJDIFKVSIB-SCSAIBSYSA-N

Compound name

[(1R)-1-amino-2-methylpropyl]phosphonic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 37
Patents: 153.05548 Da
Monoisotopic Mass: -3.3
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]+	154.06276	135.5
[M+Na]+	176.04470	141.5
[M-H]-	152.04820	131.7
[M+NH4]+	171.08930	155.2
[M+K]+	192.01864	141.5
[M+H-H2O]+	136.05274	129.3
[M+HCOO]-	198.05368	159.7
[M+CH3COO]-	212.06933	174.2
[M+Na-2H]-	174.03015	136.1
[M]+	153.05493	133.7
[M]-	153.05603	133.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe