CID 3035246

Diphosphoric acid, bis(3-methylbutyl) ester

Structural Information

Molecular Formula
C10H24O7P2
SMILES
CC(C)CCOP(=O)(OCCC(C)C)OP(=O)(O)O
InChI
InChI=1S/C10H24O7P2/c1-9(2)5-7-15-19(14,17-18(11,12)13)16-8-6-10(3)4/h9-10H,5-8H2,1-4H3,(H2,11,12,13)
InChIKey
ZGAFYBQCPPLNBN-UHFFFAOYSA-N
Compound name
bis(3-methylbutyl) phosphono phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.09973 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.10701 173.9
[M+Na]+ 341.08895 177.9
[M-H]- 317.09245 172.0
[M+NH4]+ 336.13355 177.8
[M+K]+ 357.06289 182.8
[M+H-H2O]+ 301.09699 168.4
[M+HCOO]- 363.09793 188.8
[M+CH3COO]- 377.11358 203.2
[M+Na-2H]- 339.07440 176.4
[M]+ 318.09918 172.3
[M]- 318.10028 172.3
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

patents stripe