CID 21677653

1-ethyl-1lambda5-phosphinane-1,4-dione

Structural Information

Molecular Formula
C7H13O2P
SMILES
CCP1(=O)CCC(=O)CC1
InChI
InChI=1S/C7H13O2P/c1-2-10(9)5-3-7(8)4-6-10/h2-6H2,1H3
InChIKey
CJAIWFRTLGRQDO-UHFFFAOYSA-N
Compound name
1-ethyl-1-oxo-1lambda5-phosphinan-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

160.06532 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.07260 132.2
[M+Na]+ 183.05454 139.3
[M-H]- 159.05804 134.5
[M+NH4]+ 178.09914 155.6
[M+K]+ 199.02848 138.5
[M+H-H2O]+ 143.06258 125.7
[M+HCOO]- 205.06352 159.1
[M+CH3COO]- 219.07917 176.3
[M+Na-2H]- 181.03999 135.3
[M]+ 160.06477 130.9
[M]- 160.06587 130.9
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.