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
2
Annotation Hits

0
References

16
Patents

249.16196 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.169236 165.8
[M+Na]+ 272.151178 169.6
[M-H]- 248.154684 164.7
[M+NH4]+ 267.195783 183.4
[M+K]+ 288.125118 165.3
[M+H-H2O]+ 232.159220 161.1
[M+HCOO]- 294.160161 188.6
[M+CH3COO]- 308.175811 194.2
[M+Na-2H]- 270.136626 162.6
[M]+ 249.16141142 170.2
[M]- 249.16250858 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