CID 108108

33068-19-8

Structural Information

Molecular Formula
C6H13O8P
SMILES
C(C=O)[C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O
InChI
InChI=1S/C6H13O8P/c7-2-1-4(8)6(10)5(9)3-14-15(11,12)13/h2,4-6,8-10H,1,3H2,(H2,11,12,13)/t4-,5-,6+/m1/s1
InChIKey
MBPFNOMGYSRGQZ-PBXRRBTRSA-N
Compound name
[(2R,3S,4R)-2,3,4-trihydroxy-6-oxohexyl] dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

152
References

1365
Patents

244.0348 Da
Monoisotopic Mass

-4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.04208 151.6
[M+Na]+ 267.02402 155.5
[M-H]- 243.02752 143.5
[M+NH4]+ 262.06862 165.2
[M+K]+ 282.99796 155.7
[M+H-H2O]+ 227.03206 144.8
[M+HCOO]- 289.03300 170.4
[M+CH3COO]- 303.04865 180.0
[M+Na-2H]- 265.00947 150.4
[M]+ 244.03425 152.4
[M]- 244.03535 152.4
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