CID 390827

Nsc688885

Structural Information

Molecular Formula
C8H16NO5P
SMILES
CCOP(=O)(C1CC(C(=O)N1)O)OCC
InChI
InChI=1S/C8H16NO5P/c1-3-13-15(12,14-4-2)7-5-6(10)8(11)9-7/h6-7,10H,3-5H2,1-2H3,(H,9,11)
InChIKey
CQOYTNXTYHLLHW-UHFFFAOYSA-N
Compound name
5-diethoxyphosphoryl-3-hydroxypyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.07661 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.08389 151.9
[M+Na]+ 260.06583 158.1
[M-H]- 236.06933 150.0
[M+NH4]+ 255.11043 169.1
[M+K]+ 276.03977 157.2
[M+H-H2O]+ 220.07387 144.3
[M+HCOO]- 282.07481 175.0
[M+CH3COO]- 296.09046 184.9
[M+Na-2H]- 258.05128 151.9
[M]+ 237.07606 153.2
[M]- 237.07716 153.2
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.