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 148.7
[M+Na]+ 251.02911 154.0
[M-H]- 227.03261 142.5
[M+NH4]+ 246.07371 164.1
[M+K]+ 267.00305 154.4
[M+H-H2O]+ 211.03715 142.9
[M+HCOO]- 273.03809 168.4
[M+CH3COO]- 287.05374 179.3
[M+Na-2H]- 249.01456 150.5
[M]+ 228.03934 150.2
[M]- 228.04044 150.2
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.