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
3
Annotation Hits

0
References

3
Patents

197.99294 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.00022 135.7
[M+Na]+ 220.98216 142.9
[M-H]- 196.98566 132.3
[M+NH4]+ 216.02676 153.7
[M+K]+ 236.95610 143.7
[M+H-H2O]+ 180.99020 129.1
[M+HCOO]- 242.99114 161.9
[M+CH3COO]- 257.00679 175.7
[M+Na-2H]- 218.96761 139.6
[M]+ 197.99239 140.9
[M]- 197.99349 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