CID 86287502

(r)-3-phosphonatomevalonate(3-)

Structural Information

Molecular Formula
C6H13O7P
SMILES
C[C@@](CCO)(CC(=O)O)OP(=O)(O)O
InChI
InChI=1S/C6H13O7P/c1-6(2-3-7,4-5(8)9)13-14(10,11)12/h7H,2-4H2,1H3,(H,8,9)(H2,10,11,12)/t6-/m1/s1
InChIKey
VWCNCYQNEAUWMQ-ZCFIWIBFSA-N
Compound name
(3R)-5-hydroxy-3-methyl-3-phosphonooxypentanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

32
Patents

228.03989 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.04717 149.4
[M+Na]+ 251.02911 154.9
[M-H]- 227.03261 143.0
[M+NH4]+ 246.07371 164.9
[M+K]+ 267.00305 154.7
[M+H-H2O]+ 211.03715 143.4
[M+HCOO]- 273.03809 170.0
[M+CH3COO]- 287.05374 178.4
[M+Na-2H]- 249.01456 152.3
[M]+ 228.03934 151.6
[M]- 228.04044 151.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe