CID 45158971

83905-98-0

Structural Information

Molecular Formula

C₁₁H₂₅O₄P

SMILES

C(CCCCCO)CCCCCP(=O)(O)O

InChI

InChI=1S/C11H25O4P/c12-10-8-6-4-2-1-3-5-7-9-11-16(13,14)15/h12H,1-11H2,(H2,13,14,15)

InChIKey

PPCDEFQVKBXBPS-UHFFFAOYSA-N

Compound name

11-hydroxyundecylphosphonic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 342
Patents: 252.14905 Da
Monoisotopic Mass: 1.9
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]+	253.15633	167.5
[M+Na]+	275.13827	171.4
[M-H]-	251.14177	161.4
[M+NH4]+	270.18287	183.2
[M+K]+	291.11221	168.6
[M+H-H2O]+	235.14631	160.2
[M+HCOO]-	297.14725	189.7
[M+CH3COO]-	311.16290	189.0
[M+Na-2H]-	273.12372	167.4
[M]+	252.14850	171.1
[M]-	252.14960	171.1

Literature stripe

literature stripe

Patent stripe

patents stripe