CID 3048488

63906-93-4

Structural Information

Molecular Formula
C15H36O13P4
SMILES
CCOP(=O)(OCC)OP(=O)(OCC)OP(=O)(OC(C)C)OP(=O)(OC(C)C)OC(C)C
InChI
InChI=1S/C15H36O13P4/c1-10-20-29(16,21-11-2)26-30(17,22-12-3)27-32(19,25-15(8)9)28-31(18,23-13(4)5)24-14(6)7/h13-15H,10-12H2,1-9H3
InChIKey
ALQQULMTCROCHH-UHFFFAOYSA-N
Compound name
diethoxyphosphoryl [di(propan-2-yloxy)phosphoryloxy-propan-2-yloxyphosphoryl] ethyl phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

548.11066 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 549.11794 250.5
[M+Na]+ 571.09988 251.6
[M-H]- 547.10338 257.0
[M+NH4]+ 566.14448 267.7
[M+K]+ 587.07382 246.0
[M+H-H2O]+ 531.10792 221.4
[M+HCOO]- 593.10886 265.1
[M+CH3COO]- 607.12451 247.9
[M+Na-2H]- 569.08533 230.4
[M]+ 548.11011 256.5
[M]- 548.11121 256.5
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.