CID 3043639

Diethyl (3-(oxiranylmethoxy)propyl)phosphonate

Structural Information

Molecular Formula
C10H21O5P
SMILES
CCOP(=O)(CCCOCC1CO1)OCC
InChI
InChI=1S/C10H21O5P/c1-3-14-16(11,15-4-2)7-5-6-12-8-10-9-13-10/h10H,3-9H2,1-2H3
InChIKey
PCAJGNDUGRGSNK-UHFFFAOYSA-N
Compound name
2-(3-diethoxyphosphorylpropoxymethyl)oxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

252.11266 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.11994 162.5
[M+Na]+ 275.10188 170.1
[M-H]- 251.10538 166.0
[M+NH4]+ 270.14648 174.3
[M+K]+ 291.07582 170.0
[M+H-H2O]+ 235.10992 153.7
[M+HCOO]- 297.11086 188.8
[M+CH3COO]- 311.12651 196.9
[M+Na-2H]- 273.08733 166.2
[M]+ 252.11211 174.4
[M]- 252.11321 174.4
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

patents stripe