CID 102687

Carbomethoxy malaoxan

Structural Information

Molecular Formula
C8H15O7PS
SMILES
COC(=O)CC(C(=O)OC)SP(=O)(OC)OC
InChI
InChI=1S/C8H15O7PS/c1-12-7(9)5-6(8(10)13-2)17-16(11,14-3)15-4/h6H,5H2,1-4H3
InChIKey
ZHVVLAPWOXUPHN-UHFFFAOYSA-N
Compound name
dimethyl 2-dimethoxyphosphorylsulfanylbutanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.02762 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.03490 158.0
[M+Na]+ 309.01684 163.4
[M-H]- 285.02034 157.1
[M+NH4]+ 304.06144 174.4
[M+K]+ 324.99078 165.0
[M+H-H2O]+ 269.02488 150.1
[M+HCOO]- 331.02582 179.0
[M+CH3COO]- 345.04147 196.7
[M+Na-2H]- 307.00229 156.5
[M]+ 286.02707 169.0
[M]- 286.02817 169.0
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.