CID 89189

Alpha-glutarate malathion

Structural Information

Molecular Formula
C13H25O6PS2
SMILES
CCOC(=O)CCC(C(=O)OCC)SP(=S)(OCC)OCC
InChI
InChI=1S/C13H25O6PS2/c1-5-16-12(14)10-9-11(13(15)17-6-2)22-20(21,18-7-3)19-8-4/h11H,5-10H2,1-4H3
InChIKey
AZCYCJZIXYBDLT-UHFFFAOYSA-N
Compound name
diethyl 2-diethoxyphosphinothioylsulfanylpentanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.083 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.09028 182.3
[M+Na]+ 395.07222 184.7
[M-H]- 371.07572 179.8
[M+NH4]+ 390.11682 195.1
[M+K]+ 411.04616 182.9
[M+H-H2O]+ 355.08026 172.9
[M+HCOO]- 417.08120 195.8
[M+CH3COO]- 431.09685 213.5
[M+Na-2H]- 393.05767 176.9
[M]+ 372.08245 193.6
[M]- 372.08355 193.6
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.