CID 50986253

Hp-ep

Structural Information

Molecular Formula

C₂H₈O₈P₂

SMILES

C(C(O)P(=O)(O)O)OP(=O)(O)O

InChI

InChI=1S/C2H8O8P2/c3-2(11(4,5)6)1-10-12(7,8)9/h2-3H,1H2,(H2,4,5,6)(H2,7,8,9)

InChIKey

UCAULRBMUYBLIK-UHFFFAOYSA-N

Compound name

(1-hydroxy-2-phosphonooxyethyl)phosphonic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 1
Patents: 221.96944 Da
Monoisotopic Mass: -3.9
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]+	222.976716	145.8
[M+Na]+	244.958658	151.5
[M-H]-	220.962164	137.2
[M+NH4]+	240.003263	160.9
[M+K]+	260.932598	151.8
[M+H-H2O]+	204.966700	137.7
[M+HCOO]-	266.967641	171.1
[M+CH3COO]-	280.983291	174.0
[M+Na-2H]-	242.944106	147.9
[M]+	221.96889142	147.1
[M]-	221.96998858	147.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe