CID 5149409

4721-34-0

Structural Information

Molecular Formula

C₄H₁₁O₃P

SMILES

CC(C)CP(=O)(O)O

InChI

InChI=1S/C4H11O3P/c1-4(2)3-8(5,6)7/h4H,3H2,1-2H3,(H2,5,6,7)

InChIKey

HAEFDDOAYBQRGK-UHFFFAOYSA-N

Compound name

2-methylpropylphosphonic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 997
Patents: 138.04459 Da
Monoisotopic Mass: -0.3
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]+	139.05187	128.8
[M+Na]+	161.03381	136.9
[M+NH4]+	156.07841	134.9
[M+K]+	177.00775	134.5
[M-H]-	137.03731	125.4
[M+Na-2H]-	159.01926	130.2
[M]+	138.04404	128.5
[M]-	138.04514	128.5

Literature stripe

literature stripe

Patent stripe

patents stripe