CID 208505

Phosphoric acid, dimethyl 5-methyl-3-isoxazolyl ester

Structural Information

Molecular Formula
C6H10NO5P
SMILES
CC1=CC(=NO1)OP(=O)(OC)OC
InChI
InChI=1S/C6H10NO5P/c1-5-4-6(7-11-5)12-13(8,9-2)10-3/h4H,1-3H3
InChIKey
BZGBLJAGBTWMHB-UHFFFAOYSA-N
Compound name
dimethyl (5-methyl-1,2-oxazol-3-yl) phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.02966 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.03694 139.9
[M+Na]+ 230.01888 149.0
[M-H]- 206.02238 142.3
[M+NH4]+ 225.06348 158.6
[M+K]+ 245.99282 151.3
[M+H-H2O]+ 190.02692 132.0
[M+HCOO]- 252.02786 168.7
[M+CH3COO]- 266.04351 182.8
[M+Na-2H]- 228.00433 145.1
[M]+ 207.02911 148.1
[M]- 207.03021 148.1
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

No patent data available for this compound.