CID 168584

Diethyl 6-methyl-2-oxo-2h-pyran-4-yl phosphate

Structural Information

Molecular Formula
C10H15O6P
SMILES
CCOP(=O)(OCC)OC1=CC(=O)OC(=C1)C
InChI
InChI=1S/C10H15O6P/c1-4-13-17(12,14-5-2)16-9-6-8(3)15-10(11)7-9/h6-7H,4-5H2,1-3H3
InChIKey
GJVLNXXXEHRDFJ-UHFFFAOYSA-N
Compound name
diethyl (2-methyl-6-oxopyran-4-yl) phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.06064 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.06792 154.4
[M+Na]+ 285.04986 163.2
[M-H]- 261.05336 158.2
[M+NH4]+ 280.09446 170.8
[M+K]+ 301.02380 164.6
[M+H-H2O]+ 245.05790 146.1
[M+HCOO]- 307.05884 183.0
[M+CH3COO]- 321.07449 194.9
[M+Na-2H]- 283.03531 159.3
[M]+ 262.06009 164.3
[M]- 262.06119 164.3
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

No patent data available for this compound.