CID 107158

Carbisopropoxy malaoxon

Structural Information

Molecular Formula
C12H23O7PS
SMILES
CC(C)OC(=O)CC(C(=O)OC(C)C)SP(=O)(OC)OC
InChI
InChI=1S/C12H23O7PS/c1-8(2)18-11(13)7-10(12(14)19-9(3)4)21-20(15,16-5)17-6/h8-10H,7H2,1-6H3
InChIKey
BFZWMSHWDNXYLW-UHFFFAOYSA-N
Compound name
dipropan-2-yl 2-dimethoxyphosphorylsulfanylbutanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.0902 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.09748 175.2
[M+Na]+ 365.07942 178.4
[M-H]- 341.08292 173.7
[M+NH4]+ 360.12402 199.7
[M+K]+ 381.05336 180.3
[M+H-H2O]+ 325.08746 167.0
[M+HCOO]- 387.08840 197.9
[M+CH3COO]- 401.10405 210.2
[M+Na-2H]- 363.06487 169.9
[M]+ 342.08965 186.4
[M]- 342.09075 186.4
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.