CID 3073344

Dipropyl (3-(oxiranylmethoxy)propyl)phosphonate

Structural Information

Molecular Formula
C12H25O5P
SMILES
CCCOP(=O)(CCCOCC1CO1)OCCC
InChI
InChI=1S/C12H25O5P/c1-3-6-16-18(13,17-7-4-2)9-5-8-14-10-12-11-15-12/h12H,3-11H2,1-2H3
InChIKey
IXWMGSWGLXIROE-UHFFFAOYSA-N
Compound name
2-(3-dipropoxyphosphorylpropoxymethyl)oxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.14395 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.15123 171.3
[M+Na]+ 303.13317 178.1
[M-H]- 279.13667 174.5
[M+NH4]+ 298.17777 182.1
[M+K]+ 319.10711 177.6
[M+H-H2O]+ 263.14121 162.2
[M+HCOO]- 325.14215 197.0
[M+CH3COO]- 339.15780 202.6
[M+Na-2H]- 301.11862 174.1
[M]+ 280.14340 184.0
[M]- 280.14450 184.0
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.