CID 443198

206440-72-4

Structural Information

Molecular Formula
C5H13O7P
SMILES
C[C@](CO)([C@@H](COP(=O)(O)O)O)O
InChI
InChI=1S/C5H13O7P/c1-5(8,3-6)4(7)2-12-13(9,10)11/h4,6-8H,2-3H2,1H3,(H2,9,10,11)/t4-,5+/m1/s1
InChIKey
XMWHRVNVKDKBRG-UHNVWZDZSA-N
Compound name
[(2R,3S)-2,3,4-trihydroxy-3-methylbutyl] dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

269
References

1962
Patents

216.03989 Da
Monoisotopic Mass

-3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.04717 147.5
[M+Na]+ 239.02911 152.6
[M-H]- 215.03261 139.8
[M+NH4]+ 234.07371 162.8
[M+K]+ 255.00305 152.4
[M+H-H2O]+ 199.03715 141.7
[M+HCOO]- 261.03809 166.6
[M+CH3COO]- 275.05374 174.1
[M+Na-2H]- 237.01456 150.2
[M]+ 216.03934 148.0
[M]- 216.04044 148.0
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