CID 11117349

Methyl 2-(dimethyl phosphono)-2-methoxyacetate

Structural Information

Molecular Formula

C₆H₁₃O₆P

SMILES

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

InChI

InChI=1S/C6H13O6P/c1-9-5(7)6(10-2)13(8,11-3)12-4/h6H,1-4H3

InChIKey

QFAWSODDZBHNJQ-UHFFFAOYSA-N

Compound name

methyl 2-dimethoxyphosphoryl-2-methoxyacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 38
Patents: 212.04497 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]+	213.05225	142.6
[M+Na]+	235.03419	149.8
[M-H]-	211.03769	142.1
[M+NH4]+	230.07879	161.9
[M+K]+	251.00813	152.5
[M+H-H2O]+	195.04223	135.8
[M+HCOO]-	257.04317	170.0
[M+CH3COO]-	271.05882	185.7
[M+Na-2H]-	233.01964	145.2
[M]+	212.04442	151.2
[M]-	212.04552	151.2

Literature stripe

literature stripe

Patent stripe

patents stripe