CID 205848

Brn 1216670

Structural Information

Molecular Formula
C8H14NO5P
SMILES
CCOP(=O)(OCC)OC1=NOC(=C1)C
InChI
InChI=1S/C8H14NO5P/c1-4-11-15(10,12-5-2)14-8-6-7(3)13-9-8/h6H,4-5H2,1-3H3
InChIKey
QXHOQQFLPJYSRI-UHFFFAOYSA-N
Compound name
diethyl (5-methyl-1,2-oxazol-3-yl) phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.06096 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.06824 149.7
[M+Na]+ 258.05018 157.9
[M-H]- 234.05368 151.7
[M+NH4]+ 253.09478 167.3
[M+K]+ 274.02412 159.7
[M+H-H2O]+ 218.05822 141.4
[M+HCOO]- 280.05916 177.8
[M+CH3COO]- 294.07481 188.9
[M+Na-2H]- 256.03563 153.9
[M]+ 235.06041 158.6
[M]- 235.06151 158.6
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.