CID 796925

63265-98-5

Structural Information

Molecular Formula

C₅H₁₁O₃P

SMILES

CP(=O)(C)CCC(=O)O

InChI

InChI=1S/C5H11O3P/c1-9(2,8)4-3-5(6)7/h3-4H2,1-2H3,(H,6,7)

InChIKey

YXTRSSULJNSBFN-UHFFFAOYSA-N

Compound name

3-dimethylphosphorylpropanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 20
Patents: 150.04459 Da
Monoisotopic Mass: -1.1
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]+	151.05187	132.7
[M+Na]+	173.03381	140.3
[M-H]-	149.03731	130.8
[M+NH4]+	168.07841	154.0
[M+K]+	189.00775	140.1
[M+H-H2O]+	133.04185	126.8
[M+HCOO]-	195.04279	159.0
[M+CH3COO]-	209.05844	173.6
[M+Na-2H]-	171.01926	135.7
[M]+	150.04404	135.2
[M]-	150.04514	135.2

Literature stripe

literature stripe

Patent stripe

patents stripe