CID 3073345

Dibutyl (3-(oxiranylmethoxy)propyl)phosphonate

Structural Information

Molecular Formula
C14H29O5P
SMILES
CCCCOP(=O)(CCCOCC1CO1)OCCCC
InChI
InChI=1S/C14H29O5P/c1-3-5-9-18-20(15,19-10-6-4-2)11-7-8-16-12-14-13-17-14/h14H,3-13H2,1-2H3
InChIKey
IGRBWPHZTJIMJQ-UHFFFAOYSA-N
Compound name
2-(3-dibutoxyphosphorylpropoxymethyl)oxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.17526 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.18254 180.1
[M+Na]+ 331.16448 186.0
[M-H]- 307.16798 182.9
[M+NH4]+ 326.20908 189.8
[M+K]+ 347.13842 185.0
[M+H-H2O]+ 291.17252 170.6
[M+HCOO]- 353.17346 205.1
[M+CH3COO]- 367.18911 208.3
[M+Na-2H]- 329.14993 181.9
[M]+ 308.17471 193.4
[M]- 308.17581 193.4
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.