CID 364161

Nsc629861

Structural Information

Molecular Formula
C9H17O5P
SMILES
CCOP(=O)(C1CC(OC1=O)C)OCC
InChI
InChI=1S/C9H17O5P/c1-4-12-15(11,13-5-2)8-6-7(3)14-9(8)10/h7-8H,4-6H2,1-3H3
InChIKey
OMDRJFRRFUFZOJ-UHFFFAOYSA-N
Compound name
3-diethoxyphosphoryl-5-methyloxolan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.08136 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.08864 150.9
[M+Na]+ 259.07058 158.1
[M-H]- 235.07408 153.9
[M+NH4]+ 254.11518 170.0
[M+K]+ 275.04452 159.4
[M+H-H2O]+ 219.07862 144.2
[M+HCOO]- 281.07956 177.4
[M+CH3COO]- 295.09521 190.3
[M+Na-2H]- 257.05603 152.7
[M]+ 236.08081 156.8
[M]- 236.08191 156.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.