CID 20245517

Titanate(3-), (p-butyl p-methyl diphosphato(2-)-kappao'')bis(p-butyl p-methyl diphosphato(2-)-kappao'',kappao'''')(2-propanolato)-, hydrogen (1:3)

Structural Information

Molecular Formula
C5H14O7P2
SMILES
CCCCOP(=O)(O)OP(=O)(O)OC
InChI
InChI=1S/C5H14O7P2/c1-3-4-5-11-14(8,9)12-13(6,7)10-2/h3-5H2,1-2H3,(H,6,7)(H,8,9)
InChIKey
MURVKQPXOYKSJA-UHFFFAOYSA-N
Compound name
[butoxy(hydroxy)phosphoryl] methyl hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

248.02148 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.028756 154.6
[M+Na]+ 271.010698 161.1
[M-H]- 247.014204 150.0
[M+NH4]+ 266.055303 156.2
[M+K]+ 286.984638 162.1
[M+H-H2O]+ 231.018740 145.9
[M+HCOO]- 293.019681 184.6
[M+CH3COO]- 307.035331 186.7
[M+Na-2H]- 268.996146 157.9
[M]+ 248.02093142 162.4
[M]- 248.02202858 162.4
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

patents stripe