CID 76839

Butylphosphonic acid

Structural Information

Molecular Formula

C₄H₁₁O₃P

SMILES

CCCCP(=O)(O)O

InChI

InChI=1S/C4H11O3P/c1-2-3-4-8(5,6)7/h2-4H2,1H3,(H2,5,6,7)

InChIKey

UOKRBSXOBUKDGE-UHFFFAOYSA-N

Compound name

butylphosphonic acid

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 4
References: 7760
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]+	139.051866	131.3
[M+Na]+	161.033808	138.7
[M-H]-	137.037314	128.0
[M+NH4]+	156.078413	152.4
[M+K]+	177.007748	138.0
[M+H-H2O]+	121.041850	125.5
[M+HCOO]-	183.042791	157.1
[M+CH3COO]-	197.058441	168.1
[M+Na-2H]-	159.019256	135.3
[M]+	138.04404142	132.8
[M]-	138.04513858	132.8

Literature stripe

literature stripe

Patent stripe

patents stripe