CID 25201707

2-methylphosphinoyl-2-hydroxyacetate

Structural Information

Molecular Formula

C₅H₁₁O₄P

SMILES

CC(C(=O)O)(O)P(=O)(C)C

InChI

InChI=1S/C5H11O4P/c1-5(8,4(6)7)10(2,3)9/h8H,1-3H3,(H,6,7)

InChIKey

DHSVEJKJFFGGGI-UHFFFAOYSA-N

Compound name

2-dimethylphosphoryl-2-hydroxypropanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 166.03949 Da
Monoisotopic Mass: -1.4
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	136.0
[M+Na]+	189.02871	143.4
[M-H]-	165.03221	132.9
[M+NH4]+	184.07331	155.8
[M+K]+	205.00265	143.3
[M+H-H2O]+	149.03675	130.7
[M+HCOO]-	211.03769	159.4
[M+CH3COO]-	225.05334	173.5
[M+Na-2H]-	187.01416	139.7
[M]+	166.03894	137.4
[M]-	166.04004	137.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe