CID 11550267

N-lactoyl ethanolamine phosphate

Structural Information

Molecular Formula

C₅H₁₂NO₆P

SMILES

CC(C(=O)NCCOP(=O)(O)O)O

InChI

InChI=1S/C5H12NO6P/c1-4(7)5(8)6-2-3-12-13(9,10)11/h4,7H,2-3H2,1H3,(H,6,8)(H2,9,10,11)

InChIKey

CKXSSEHWXMVQRZ-UHFFFAOYSA-N

Compound name

2-(2-hydroxypropanoylamino)ethyl dihydrogen phosphate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 86
Patents: 213.04022 Da
Monoisotopic Mass: -2.5
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]+	214.04750	145.0
[M+Na]+	236.02944	149.2
[M+NH4]+	231.07404	147.8
[M+K]+	252.00338	149.7
[M-H]-	212.03294	139.0
[M+Na-2H]-	234.01489	143.2
[M]+	213.03967	142.9
[M]-	213.04077	142.9

Literature stripe

literature stripe

Patent stripe

patents stripe