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
4
Annotation Hits

13483
References

27550
Patents

299.077 Da
Monoisotopic Mass

-4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.08428 164.5
[M+Na]+ 322.06622 167.4
[M+NH4]+ 317.11082 179.4
[M+K]+ 338.04016 168.7
[M-H]- 298.06972 157.7
[M+Na-2H]- 320.05167 161.3
[M]+ 299.07645 162.0
[M]- 299.07755 162.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe