CID 36704

3095-95-2

Structural Information

Molecular Formula

C₆H₁₃O₅P

SMILES

CCOP(=O)(CC(=O)O)OCC

InChI

InChI=1S/C6H13O5P/c1-3-10-12(9,11-4-2)5-6(7)8/h3-5H2,1-2H3,(H,7,8)

InChIKey

DVQMPWOLBFKUMM-UHFFFAOYSA-N

Compound name

2-diethoxyphosphorylacetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2480
Patents: 196.05006 Da
Monoisotopic Mass: -0.2
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]+	197.05734	142.1
[M+Na]+	219.03928	149.1
[M-H]-	195.04278	140.0
[M+NH4]+	214.08388	161.4
[M+K]+	235.01322	149.7
[M+H-H2O]+	179.04732	135.5
[M+HCOO]-	241.04826	168.6
[M+CH3COO]-	255.06391	180.8
[M+Na-2H]-	217.02473	145.0
[M]+	196.04951	148.0
[M]-	196.05061	148.0

Literature stripe

literature stripe

Patent stripe

patents stripe