CID 50986113

Op-ep

Structural Information

Molecular Formula

C₂H₆O₈P₂

SMILES

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

InChI

InChI=1S/C2H6O8P2/c3-2(11(4,5)6)1-10-12(7,8)9/h1H2,(H2,4,5,6)(H2,7,8,9)

InChIKey

NXRMEXANZIDLKA-UHFFFAOYSA-N

Compound name

(2-phosphonooxyacetyl)phosphonic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 0
Patents: 219.9538 Da
Monoisotopic Mass: -3.6
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]+	220.96108	142.3
[M+Na]+	242.94302	148.8
[M-H]-	218.94652	135.2
[M+NH4]+	237.98762	158.2
[M+K]+	258.91696	149.4
[M+H-H2O]+	202.95106	134.2
[M+HCOO]-	264.95200	169.4
[M+CH3COO]-	278.96765	175.1
[M+Na-2H]-	240.92847	145.1
[M]+	219.95325	144.9
[M]-	219.95435	144.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.