CID 5327011

1334474-30-4

Structural Information

Molecular Formula

C₉H₁₈NO₈P

SMILES

CC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)C

InChI

InChI=1S/C9H18NO8P/c1-7(11)15-5-9(18-8(2)12)6-17-19(13,14)16-4-3-10/h9H,3-6,10H2,1-2H3,(H,13,14)/t9-/m1/s1

InChIKey

CFWRDBDJAOHXSH-SECBINFHSA-N

Compound name

[(2R)-2-acetyloxy-3-[2-aminoethoxy(hydroxy)phosphoryl]oxypropyl] acetate

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 13503
References: 27551
Patents: 299.077 Da
Monoisotopic Mass: -4.4
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]+	300.08428	163.7
[M+Na]+	322.06622	167.7
[M-H]-	298.06972	160.4
[M+NH4]+	317.11082	175.5
[M+K]+	338.04016	169.9
[M+H-H2O]+	282.07426	155.5
[M+HCOO]-	344.07520	182.2
[M+CH3COO]-	358.09085	200.5
[M+Na-2H]-	320.05167	162.9
[M]+	299.07645	170.7
[M]-	299.07755	170.7

Literature stripe

literature stripe

Patent stripe

patents stripe