CID 3016938

55168-74-6

Structural Information

Molecular Formula

C₆H₁₁O₅P

SMILES

COC(=O)C(=C)P(=O)(OC)OC

InChI

InChI=1S/C6H11O5P/c1-5(6(7)9-2)12(8,10-3)11-4/h1H2,2-4H3

InChIKey

HRTGCDRCJQKACR-UHFFFAOYSA-N

Compound name

methyl 2-dimethoxyphosphorylprop-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 262
Patents: 194.03441 Da
Monoisotopic Mass: 0.0
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]+	195.04169	138.6
[M+Na]+	217.02363	146.2
[M-H]-	193.02713	138.1
[M+NH4]+	212.06823	158.7
[M+K]+	232.99757	147.7
[M+H-H2O]+	177.03167	132.1
[M+HCOO]-	239.03261	165.9
[M+CH3COO]-	253.04826	182.6
[M+Na-2H]-	215.00908	141.0
[M]+	194.03386	145.0
[M]-	194.03496	145.0

Literature stripe

literature stripe

Patent stripe

patents stripe