CID 119411

Tris(2-carboxyethyl)phosphine

Structural Information

Molecular Formula

C₉H₁₅O₆P

SMILES

C(CP(CCC(=O)O)CCC(=O)O)C(=O)O

InChI

InChI=1S/C9H15O6P/c10-7(11)1-4-16(5-2-8(12)13)6-3-9(14)15/h1-6H2,(H,10,11)(H,12,13)(H,14,15)

InChIKey

PZBFGYYEXUXCOF-UHFFFAOYSA-N

Compound name

3-[bis(2-carboxyethyl)phosphanyl]propanoic acid

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 715
References: 74003
Patents: 250.06062 Da
Monoisotopic Mass: -1.6
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]+	251.067896	158.5
[M+Na]+	273.049838	162.3
[M-H]-	249.053344	152.8
[M+NH4]+	268.094443	173.5
[M+K]+	289.023778	161.6
[M+H-H2O]+	233.057880	151.1
[M+HCOO]-	295.058821	179.9
[M+CH3COO]-	309.074471	188.5
[M+Na-2H]-	271.035286	154.1
[M]+	250.06007142	160.8
[M]-	250.06116858	160.8

Literature stripe

literature stripe

Patent stripe

patents stripe