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]+ 216.99303 141.9
[M+Na]+ 238.97497 147.6
[M-H]- 214.97847 137.0
[M+NH4]+ 234.01957 158.9
[M+K]+ 254.94891 146.9
[M+H-H2O]+ 198.98301 135.1
[M+HCOO]- 260.98395 160.0
[M+CH3COO]- 274.99960 176.0
[M+Na-2H]- 236.96042 141.1
[M]+ 215.98520 145.4
[M]- 215.98630 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.