CID 193787

Hydroxypyruvaldehyde phosphate(2-)

Structural Information

Molecular Formula
C3H5O6P
SMILES
C(C(=O)C=O)OP(=O)(O)O
InChI
InChI=1S/C3H5O6P/c4-1-3(5)2-9-10(6,7)8/h1H,2H2,(H2,6,7,8)
InChIKey
NZAAQWRNVFEKME-UHFFFAOYSA-N
Compound name
2,3-dioxopropyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

3
Patents

167.98238 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.989656 129.2
[M+Na]+ 190.971598 137.0
[M-H]- 166.975104 126.1
[M+NH4]+ 186.016203 148.6
[M+K]+ 206.945538 137.5
[M+H-H2O]+ 150.979640 123.1
[M+HCOO]- 212.980581 155.5
[M+CH3COO]- 226.996231 170.4
[M+Na-2H]- 188.957046 133.3
[M]+ 167.98183142 132.6
[M]- 167.98292858 132.6
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