CID 3079426

3-tert-butyl-2-isoxazolin-5-ylphosphonic acid

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

9
Patents

207.06604 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.07332 147.1
[M+Na]+ 230.05526 154.3
[M-H]- 206.05876 146.4
[M+NH4]+ 225.09986 164.5
[M+K]+ 246.02920 154.7
[M+H-H2O]+ 190.06330 140.3
[M+HCOO]- 252.06424 169.1
[M+CH3COO]- 266.07989 178.8
[M+Na-2H]- 228.04071 150.8
[M]+ 207.06549 148.3
[M]- 207.06659 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