CID 45479445

2-phosphono-formylglycerate

Structural Information

Molecular Formula
C4H7O8P
SMILES
C(C(C(=O)O)OP(=O)(C(=O)O)O)O
InChI
InChI=1S/C4H7O8P/c5-1-2(3(6)7)12-13(10,11)4(8)9/h2,5H,1H2,(H,6,7)(H,8,9)(H,10,11)
InChIKey
PZKDRLLCIDQYJT-UHFFFAOYSA-N
Compound name
2-[carboxy(hydroxy)phosphoryl]oxy-3-hydroxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

213.98785 Da
Monoisotopic Mass

-2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.99513 139.3
[M+Na]+ 236.97707 144.9
[M-H]- 212.98057 133.1
[M+NH4]+ 232.02167 154.8
[M+K]+ 252.95101 145.7
[M+H-H2O]+ 196.98511 132.9
[M+HCOO]- 258.98605 160.5
[M+CH3COO]- 273.00170 175.2
[M+Na-2H]- 234.96252 139.8
[M]+ 213.98730 140.6
[M]- 213.98840 140.6
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

No patent data available for this compound.