CID 140104779

Diethyl 1-diazo-2-oxopropylphosphonate

Structural Information

Molecular Formula
C7H14N2O4P
SMILES
CCOP(=C(C(=O)C)[N+]#N)(O)OCC
InChI
InChI=1S/C7H13N2O4P/c1-4-12-14(11,13-5-2)7(9-8)6(3)10/h4-5H2,1-3H3/p+1
InChIKey
POWMKQRQDNARSN-UHFFFAOYSA-O
Compound name
1-[diethoxy(hydroxy)-lambda5-phosphanylidene]-2-oxopropane-1-diazonium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

140
Patents

221.06912 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.07640 143.0
[M+Na]+ 244.05834 150.5
[M-H]- 220.06184 143.1
[M+NH4]+ 239.10294 159.5
[M+K]+ 260.03228 147.1
[M+H-H2O]+ 204.06638 132.2
[M+HCOO]- 266.06732 166.5
[M+CH3COO]- 280.08297 195.4
[M+Na-2H]- 242.04379 148.0
[M]+ 221.06857 141.2
[M]- 221.06967 141.2
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.