CID 96632

1489-91-4

Structural Information

Molecular Formula
C8H15O4P
SMILES
CCOP(=O)(C(=O)C1CC1)OCC
InChI
InChI=1S/C8H15O4P/c1-3-11-13(10,12-4-2)8(9)7-5-6-7/h7H,3-6H2,1-2H3
InChIKey
IOSOXYZYSATVMG-UHFFFAOYSA-N
Compound name
cyclopropyl(diethoxyphosphoryl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.0708 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.078076 147.6
[M+Na]+ 229.060018 156.1
[M-H]- 205.063524 151.0
[M+NH4]+ 224.104623 162.4
[M+K]+ 245.033958 154.9
[M+H-H2O]+ 189.068060 139.9
[M+HCOO]- 251.069001 174.7
[M+CH3COO]- 265.084651 189.0
[M+Na-2H]- 227.045466 150.3
[M]+ 206.07025142 155.7
[M]- 206.07134858 155.7
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.