CID 137347774

[(1r)-1-hydroxy-2-(trimethylamino)ethyl]phosphonate

Structural Information

Molecular Formula

C₅H₁₅NO₄P

SMILES

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

InChI

InChI=1S/C5H14NO4P/c1-6(2,3)4-5(7)11(8,9)10/h5,7H,4H2,1-3H3,(H-,8,9,10)/p+1/t5-/m1/s1

InChIKey

YJIOAKRBBHTUPD-RXMQYKEDSA-O

Compound name

[(2R)-2-hydroxy-2-phosphonoethyl]-trimethylazanium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 184.07387 Da
Monoisotopic Mass: -2.1
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]+	185.081146	137.4
[M+Na]+	207.063088	143.6
[M-H]-	183.066594	134.5
[M+NH4]+	202.107693	156.2
[M+K]+	223.037028	138.3
[M+H-H2O]+	167.071130	134.6
[M+HCOO]-	229.072071	161.2
[M+CH3COO]-	243.087721	172.0
[M+Na-2H]-	205.048536	144.6
[M]+	184.07332142	136.7
[M]-	184.07441858	136.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.