CID 80029

Trimethyl phosphonoacetate

Structural Information

Molecular Formula

C₅H₁₁O₅P

SMILES

COC(=O)CP(=O)(OC)OC

InChI

InChI=1S/C5H11O5P/c1-8-5(6)4-11(7,9-2)10-3/h4H2,1-3H3

InChIKey

SIGOIUCRXKUEIG-UHFFFAOYSA-N

Compound name

methyl 2-dimethoxyphosphorylacetate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 7170
Patents: 182.03441 Da
Monoisotopic Mass: -0.6
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]+	183.04169	136.1
[M+Na]+	205.02363	144.0
[M-H]-	181.02713	135.7
[M+NH4]+	200.06823	156.8
[M+K]+	220.99757	145.9
[M+H-H2O]+	165.03167	129.6
[M+HCOO]-	227.03261	164.5
[M+CH3COO]-	241.04826	179.8
[M+Na-2H]-	203.00908	140.1
[M]+	182.03386	143.5
[M]-	182.03496	143.5

Literature stripe

literature stripe

Patent stripe

patents stripe