CID 6857386

Dihydroxyacetone phosphate acyl ester

Structural Information

Molecular Formula
C4H7O7P
SMILES
C(C(=O)COP(=O)(O)O)OC=O
InChI
InChI=1S/C4H7O7P/c5-3-10-1-4(6)2-11-12(7,8)9/h3H,1-2H2,(H2,7,8,9)
InChIKey
IWFZHMQFZRLGDQ-UHFFFAOYSA-N
Compound name
(2-oxo-3-phosphonooxypropyl) formate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

6
Patents

197.99294 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.000216 135.7
[M+Na]+ 220.982158 142.9
[M-H]- 196.985664 132.3
[M+NH4]+ 216.026763 153.7
[M+K]+ 236.956098 143.7
[M+H-H2O]+ 180.990200 129.1
[M+HCOO]- 242.991141 161.9
[M+CH3COO]- 257.006791 175.7
[M+Na-2H]- 218.967606 139.6
[M]+ 197.99239142 140.9
[M]- 197.99348858 140.9
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

patents stripe