CID 77872

Dimethyl (2-oxopropyl)phosphonate

Structural Information

Molecular Formula

C₅H₁₁O₄P

SMILES

CC(=O)CP(=O)(OC)OC

InChI

InChI=1S/C5H11O4P/c1-5(6)4-10(7,8-2)9-3/h4H2,1-3H3

InChIKey

UOWIYNWMROWVDG-UHFFFAOYSA-N

Compound name

1-dimethoxyphosphorylpropan-2-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 1333
Patents: 166.03949 Da
Monoisotopic Mass: 0.9
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]+	167.04677	133.7
[M+Na]+	189.02871	141.6
[M-H]-	165.03221	133.2
[M+NH4]+	184.07331	155.0
[M+K]+	205.00265	143.0
[M+H-H2O]+	149.03675	127.4
[M+HCOO]-	211.03769	161.8
[M+CH3COO]-	225.05334	178.4
[M+Na-2H]-	187.01416	137.5
[M]+	166.03894	139.7
[M]-	166.04004	139.7

Literature stripe

literature stripe

Patent stripe

patents stripe