CID 440324

S-methyl 3-o-phosphonato-1-thio-d-glycerate(2-)

Structural Information

Molecular Formula
C4H9O6PS
SMILES
CSC(=O)[C@@H](COP(=O)(O)O)O
InChI
InChI=1S/C4H9O6PS/c1-12-4(6)3(5)2-10-11(7,8)9/h3,5H,2H2,1H3,(H2,7,8,9)/t3-/m1/s1
InChIKey
VSSDMJHMYISZJU-GSVOUGTGSA-N
Compound name
S-methyl (2R)-2-hydroxy-3-phosphonooxypropanethioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.98575 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.993026 141.9
[M+Na]+ 238.974968 147.6
[M-H]- 214.978474 137.0
[M+NH4]+ 234.019573 158.9
[M+K]+ 254.948908 146.9
[M+H-H2O]+ 198.983010 135.1
[M+HCOO]- 260.983951 160.0
[M+CH3COO]- 274.999601 176.0
[M+Na-2H]- 236.960416 141.1
[M]+ 215.98520142 145.4
[M]- 215.98629858 145.4
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.