CID 49859612

(r)-4-phosphopantoate

Structural Information

Molecular Formula
C6H13O7P
SMILES
CC(C)(COP(=O)(O)O)[C@H](C(=O)O)O
InChI
InChI=1S/C6H13O7P/c1-6(2,4(7)5(8)9)3-13-14(10,11)12/h4,7H,3H2,1-2H3,(H,8,9)(H2,10,11,12)/t4-/m0/s1
InChIKey
SVZWVVFMSSSVKX-BYPYZUCNSA-N
Compound name
(2R)-2-hydroxy-3,3-dimethyl-4-phosphonooxybutanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

228.03989 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.04717 146.9
[M+Na]+ 251.02911 150.8
[M+NH4]+ 246.07371 148.9
[M+K]+ 267.00305 153.0
[M-H]- 227.03261 139.0
[M+Na-2H]- 249.01456 144.3
[M]+ 228.03934 144.4
[M]- 228.04044 144.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.