CID 123981294

Dimethyl (1-diazo-2-oxopropyl)phosphonate

Structural Information

Molecular Formula
C5H10N2O4P
SMILES
CC(=O)C(=P(O)(OC)OC)[N+]#N
InChI
InChI=1S/C5H9N2O4P/c1-4(8)5(7-6)12(9,10-2)11-3/h1-3H3/p+1
InChIKey
SQHSJJGGWYIFCD-UHFFFAOYSA-O
Compound name
1-[hydroxy(dimethoxy)-lambda5-phosphanylidene]-2-oxopropane-1-diazonium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5375
Patents

193.03781 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.04509 134.5
[M+Na]+ 216.02703 142.8
[M-H]- 192.03053 135.0
[M+NH4]+ 211.07163 152.1
[M+K]+ 232.00097 139.8
[M+H-H2O]+ 176.03507 124.1
[M+HCOO]- 238.03601 158.6
[M+CH3COO]- 252.05166 189.9
[M+Na-2H]- 214.01248 140.4
[M]+ 193.03726 132.1
[M]- 193.03836 132.1
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

patents stripe