CID 94516

(5-ethyl-2-methyl-1,3,2-dioxaphosphorinan-5-yl)methyl dimethyl phosphonate p-oxide

Structural Information

Molecular Formula
C9H20O6P2
SMILES
CCC1(COP(=O)(OC1)C)COP(=O)(C)OC
InChI
InChI=1S/C9H20O6P2/c1-5-9(6-13-16(3,10)12-2)7-14-17(4,11)15-8-9/h5-8H2,1-4H3
InChIKey
CFIFBLCPLCPITL-UHFFFAOYSA-N
Compound name
5-ethyl-5-[[methoxy(methyl)phosphoryl]oxymethyl]-2-methyl-1,3,2lambda5-dioxaphosphinane 2-oxide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

235
Patents

286.07352 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.08080 162.2
[M+Na]+ 309.06274 168.9
[M-H]- 285.06624 164.5
[M+NH4]+ 304.10734 180.3
[M+K]+ 325.03668 172.4
[M+H-H2O]+ 269.07078 153.9
[M+HCOO]- 331.07172 190.8
[M+CH3COO]- 345.08737 198.6
[M+Na-2H]- 307.04819 167.2
[M]+ 286.07297 169.8
[M]- 286.07407 169.8
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

patents stripe