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]+ 207.07808 147.6
[M+Na]+ 229.06002 156.1
[M-H]- 205.06352 151.0
[M+NH4]+ 224.10462 162.4
[M+K]+ 245.03396 154.9
[M+H-H2O]+ 189.06806 139.9
[M+HCOO]- 251.06900 174.7
[M+CH3COO]- 265.08465 189.0
[M+Na-2H]- 227.04547 150.3
[M]+ 206.07025 155.7
[M]- 206.07135 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.