CID 2773807

5-phosphonopentanoic acid

Structural Information

Molecular Formula

C₅H₁₁O₅P

SMILES

C(CCP(=O)(O)O)CC(=O)O

InChI

InChI=1S/C5H11O5P/c6-5(7)3-1-2-4-11(8,9)10/h1-4H2,(H,6,7)(H2,8,9,10)

InChIKey

XWCXIPMQBWAVJA-UHFFFAOYSA-N

Compound name

5-phosphonopentanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 149
Patents: 182.03441 Da
Monoisotopic Mass: -1.4
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]+	183.04169	138.4
[M+Na]+	205.02363	144.7
[M+NH4]+	200.06823	142.5
[M+K]+	220.99757	143.5
[M-H]-	181.02713	133.0
[M+Na-2H]-	203.00908	137.8
[M]+	182.03386	137.0
[M]-	182.03496	137.0

Literature stripe

literature stripe

Patent stripe

patents stripe