CID 452119

Bis(isopropylyloxymethyl) methyl foscarnet

Structural Information

Molecular Formula
C12H21O9P
SMILES
CC(C)C(=O)OCOP(=O)(C(=O)OC)OCOC(=O)C(C)C
InChI
InChI=1S/C12H21O9P/c1-8(2)10(13)18-6-20-22(16,12(15)17-5)21-7-19-11(14)9(3)4/h8-9H,6-7H2,1-5H3
InChIKey
QVFMJSJYVMHBTI-UHFFFAOYSA-N
Compound name
[methoxycarbonyl(2-methylpropanoyloxymethoxy)phosphoryl]oxymethyl 2-methylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

340.09232 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.09960 182.7
[M+Na]+ 363.08154 191.3
[M-H]- 339.08504 186.7
[M+NH4]+ 358.12614 196.3
[M+K]+ 379.05548 183.6
[M+H-H2O]+ 323.08958 180.2
[M+HCOO]- 385.09052 193.8
[M+CH3COO]- 399.10617 209.4
[M+Na-2H]- 361.06699 176.1
[M]+ 340.09177 184.8
[M]- 340.09287 184.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.