CID 312546

Tert-butylphosphonic acid

Structural Information

Molecular Formula

C₄H₁₁O₃P

SMILES

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

InChI

InChI=1S/C4H11O3P/c1-4(2,3)8(5,6)7/h1-3H3,(H2,5,6,7)

InChIKey

OGDSVONAYZTTDA-UHFFFAOYSA-N

Compound name

tert-butylphosphonic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 19
References: 1576
Patents: 138.04459 Da
Monoisotopic Mass: -0.6
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	128.7
[M+Na]+	161.03381	136.8
[M+NH4]+	156.07841	134.7
[M+K]+	177.00775	134.9
[M-H]-	137.03731	124.9
[M+Na-2H]-	159.01926	130.4
[M]+	138.04404	128.4
[M]-	138.04514	128.4

Literature stripe

literature stripe

Patent stripe

patents stripe