CID 405378

Hpebp

Structural Information

Molecular Formula

C₅H₁₄O₇P₂

SMILES

CCCCC(O)(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C5H14O7P2/c1-2-3-4-5(6,13(7,8)9)14(10,11)12/h6H,2-4H2,1H3,(H2,7,8,9)(H2,10,11,12)

InChIKey

QGLGFSYSGKZIMF-UHFFFAOYSA-N

Compound name

(1-hydroxy-1-phosphonopentyl)phosphonic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 9
References: 124
Patents: 248.02148 Da
Monoisotopic Mass: -2.2
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]+	249.02876	160.1
[M+Na]+	271.01070	165.3
[M-H]-	247.01420	151.3
[M+NH4]+	266.05530	141.7
[M+K]+	286.98464	164.3
[M+H-H2O]+	231.01874	152.3
[M+HCOO]-	293.01968	163.3
[M+CH3COO]-	307.03533	180.3
[M+Na-2H]-	268.99615	163.0
[M]+	248.02093	161.1
[M]-	248.02203	161.1

Literature stripe

literature stripe

Patent stripe

patents stripe