CID 4564495

62327-21-3

Structural Information

Molecular Formula

C₈H₁₇O₅P

SMILES

CC(C)(C)OC(=O)CP(=O)(OC)OC

InChI

InChI=1S/C8H17O5P/c1-8(2,3)13-7(9)6-14(10,11-4)12-5/h6H2,1-5H3

InChIKey

SAZYDWOWLRDDRQ-UHFFFAOYSA-N

Compound name

tert-butyl 2-dimethoxyphosphorylacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 563
Patents: 224.08136 Da
Monoisotopic Mass: 0.4
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]+	225.08864	148.9
[M+Na]+	247.07058	156.0
[M+NH4]+	242.11518	153.4
[M+K]+	263.04452	154.5
[M-H]-	223.07408	144.4
[M+Na-2H]-	245.05603	149.5
[M]+	224.08081	148.2
[M]-	224.08191	148.2

Literature stripe

literature stripe

Patent stripe

patents stripe