CID 364165

Nsc629865

Structural Information

Molecular Formula
C14H25O5P
SMILES
CCOP(=O)(C1C2CCC(C2(C)C)(OC1=O)C)OCC
InChI
InChI=1S/C14H25O5P/c1-6-17-20(16,18-7-2)11-10-8-9-14(5,13(10,3)4)19-12(11)15/h10-11H,6-9H2,1-5H3
InChIKey
QBBJFDAVUIUNFV-UHFFFAOYSA-N
Compound name
4-diethoxyphosphoryl-1,8,8-trimethyl-2-oxabicyclo[3.2.1]octan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.14395 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.15123 167.8
[M+Na]+ 327.13317 175.4
[M-H]- 303.13667 169.9
[M+NH4]+ 322.17777 190.0
[M+K]+ 343.10711 175.5
[M+H-H2O]+ 287.14121 162.9
[M+HCOO]- 349.14215 189.1
[M+CH3COO]- 363.15780 205.2
[M+Na-2H]- 325.11862 171.7
[M]+ 304.14340 174.5
[M]- 304.14450 174.5
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.