CID 112018

Dimethyl (1-hydroxyethyl)phosphonate

Structural Information

Molecular Formula

C₄H₁₁O₄P

SMILES

CC(O)P(=O)(OC)OC

InChI

InChI=1S/C4H11O4P/c1-4(5)9(6,7-2)8-3/h4-5H,1-3H3

InChIKey

KZHGNHTVCUWRKR-UHFFFAOYSA-N

Compound name

1-dimethoxyphosphorylethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 85
Patents: 154.03949 Da
Monoisotopic Mass: -0.7
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]+	155.046766	132.1
[M+Na]+	177.028708	139.7
[M-H]-	153.032214	130.3
[M+NH4]+	172.073313	153.2
[M+K]+	193.002648	140.9
[M+H-H2O]+	137.036750	126.1
[M+HCOO]-	199.037691	158.8
[M+CH3COO]-	213.053341	173.7
[M+Na-2H]-	175.014156	135.7
[M]+	154.03894142	136.4
[M]-	154.04003858	136.4

Literature stripe

literature stripe

Patent stripe

patents stripe