CID 146037175

1-arsono-3-phospho-d-glycerate

Structural Information

Molecular Formula
C3H8AsO10P
SMILES
C([C@H](C(=O)O[As](=O)(O)O)O)OP(=O)(O)O
InChI
InChI=1S/C3H8AsO10P/c5-2(1-13-15(10,11)12)3(6)14-4(7,8)9/h2,5H,1H2,(H2,7,8,9)(H2,10,11,12)/t2-/m1/s1
InChIKey
NFEPGYRUGCYOSR-UWTATZPHSA-N
Compound name
[(2R)-2-hydroxy-3-phosphonooxypropanoyl]oxyarsonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

309.9071 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.91438 155.0
[M+Na]+ 332.89632 159.7
[M-H]- 308.89982 146.9
[M+NH4]+ 327.94092 157.3
[M+K]+ 348.87026 160.9
[M+H-H2O]+ 292.90436 148.1
[M+HCOO]- 354.90530 170.3
[M+CH3COO]- 368.92095 179.0
[M+Na-2H]- 330.88177 157.2
[M]+ 309.90655 157.3
[M]- 309.90765 157.3
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.