CID 668

Dihydroxyacetone phosphate

Structural Information

Molecular Formula
C3H7O6P
SMILES
C(C(=O)COP(=O)(O)O)O
InChI
InChI=1S/C3H7O6P/c4-1-3(5)2-9-10(6,7)8/h4H,1-2H2,(H2,6,7,8)
InChIKey
GNGACRATGGDKBX-UHFFFAOYSA-N
Compound name
(3-hydroxy-2-oxopropyl) dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

6848
References

40749
Patents

169.99803 Da
Monoisotopic Mass

-2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.005306 132.3
[M+Na]+ 192.987248 139.4
[M-H]- 168.990754 127.7
[M+NH4]+ 188.031853 150.9
[M+K]+ 208.961188 139.5
[M+H-H2O]+ 152.995290 126.2
[M+HCOO]- 214.996231 156.8
[M+CH3COO]- 229.011881 168.9
[M+Na-2H]- 190.972696 135.7
[M]+ 169.99748142 134.4
[M]- 169.99857858 134.4
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