CID 10921447

6-phosphonohexanoic acid

Structural Information

Molecular Formula

C₆H₁₃O₅P

SMILES

C(CCC(=O)O)CCP(=O)(O)O

InChI

InChI=1S/C6H13O5P/c7-6(8)4-2-1-3-5-12(9,10)11/h1-5H2,(H,7,8)(H2,9,10,11)

InChIKey

SYFTUNQVCGSBOV-UHFFFAOYSA-N

Compound name

6-phosphonohexanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 294
Patents: 196.05006 Da
Monoisotopic Mass: -1.0
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]+	197.05734	142.7
[M+Na]+	219.03928	148.8
[M+NH4]+	214.08388	146.6
[M+K]+	235.01322	147.3
[M-H]-	195.04278	137.2
[M+Na-2H]-	217.02473	141.9
[M]+	196.04951	141.3
[M]-	196.05061	141.3

Literature stripe

literature stripe

Patent stripe

patents stripe