CID 439400

(r)-5-phosphomevalonate

Structural Information

Molecular Formula

C₆H₁₃O₇P

SMILES

C[C@@](CCOP(=O)(O)O)(CC(=O)O)O

InChI

InChI=1S/C6H13O7P/c1-6(9,4-5(7)8)2-3-13-14(10,11)12/h9H,2-4H2,1H3,(H,7,8)(H2,10,11,12)/t6-/m1/s1

InChIKey

OKZYCXHTTZZYSK-ZCFIWIBFSA-N

Compound name

(3R)-3-hydroxy-3-methyl-5-phosphonooxypentanoic acid

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 27
References: 1499
Patents: 228.03989 Da
Monoisotopic Mass: -2.1
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]+	229.04717	147.2
[M+Na]+	251.02911	151.5
[M+NH4]+	246.07371	149.3
[M+K]+	267.00305	152.8
[M-H]-	227.03261	139.5
[M+Na-2H]-	249.01456	144.9
[M]+	228.03934	144.8
[M]-	228.04044	144.8

Literature stripe

literature stripe

Patent stripe

patents stripe