CID 3079426

125674-52-4

Structural Information

Molecular Formula
C7H14NO4P
SMILES
CC(C)(C)C1=NOC(C1)P(=O)(O)O
InChI
InChI=1S/C7H14NO4P/c1-7(2,3)5-4-6(12-8-5)13(9,10)11/h6H,4H2,1-3H3,(H2,9,10,11)
InChIKey
NKQGVZJGKLUSJZ-UHFFFAOYSA-N
Compound name
(3-tert-butyl-4,5-dihydro-1,2-oxazol-5-yl)phosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

207.06604 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.073316 147.1
[M+Na]+ 230.055258 154.3
[M-H]- 206.058764 146.4
[M+NH4]+ 225.099863 164.5
[M+K]+ 246.029198 154.7
[M+H-H2O]+ 190.063300 140.3
[M+HCOO]- 252.064241 169.1
[M+CH3COO]- 266.079891 178.8
[M+Na-2H]- 228.040706 150.8
[M]+ 207.06549142 148.3
[M]- 207.06658858 148.3
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