CID 164793

Serine ethanolamine phosphate

Structural Information

Molecular Formula

C₅H₁₃N₂O₆P

SMILES

C(COP(=O)(O)OC[C@@H](C(=O)O)N)N

InChI

InChI=1S/C5H13N2O6P/c6-1-2-12-14(10,11)13-3-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)(H,10,11)/t4-/m0/s1

InChIKey

UQDJGEHQDNVPGU-BYPYZUCNSA-N

Compound name

(2S)-2-amino-3-[2-aminoethoxy(hydroxy)phosphoryl]oxypropanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 16
References: 33887
Patents: 228.05112 Da
Monoisotopic Mass: -7.8
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]+	229.05840	147.2
[M+Na]+	251.04034	151.5
[M-H]-	227.04384	142.4
[M+NH4]+	246.08494	162.6
[M+K]+	267.01428	152.2
[M+H-H2O]+	211.04838	139.3
[M+HCOO]-	273.04932	172.2
[M+CH3COO]-	287.06497	188.0
[M+Na-2H]-	249.02579	147.3
[M]+	228.05057	147.3
[M]-	228.05167	147.3

Literature stripe

literature stripe

Patent stripe

patents stripe