CID 6335798

Bis(1,3-dimethylbutyl) phosphonate

Structural Information

Molecular Formula
C12H26O3P
SMILES
CC(C)CC(C)O[P+](=O)OC(C)CC(C)C
InChI
InChI=1S/C12H26O3P/c1-9(2)7-11(5)14-16(13)15-12(6)8-10(3)4/h9-12H,7-8H2,1-6H3/q+1
InChIKey
QYSXYFQBDRTBKO-UHFFFAOYSA-N
Compound name
bis(4-methylpentan-2-yloxy)-oxophosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

249.16196 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.16924 165.8
[M+Na]+ 272.15118 169.6
[M-H]- 248.15468 164.7
[M+NH4]+ 267.19578 183.4
[M+K]+ 288.12512 165.3
[M+H-H2O]+ 232.15922 161.1
[M+HCOO]- 294.16016 188.6
[M+CH3COO]- 308.17581 194.2
[M+Na-2H]- 270.13663 162.6
[M]+ 249.16141 170.2
[M]- 249.16251 170.2
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