CID 566101

Diisobutyl methylphosphonate

Structural Information

Molecular Formula
C9H21O3P
SMILES
CC(C)COP(=O)(C)OCC(C)C
InChI
InChI=1S/C9H21O3P/c1-8(2)6-11-13(5,10)12-7-9(3)4/h8-9H,6-7H2,1-5H3
InChIKey
IGNFYWATZHBYFJ-UHFFFAOYSA-N
Compound name
2-methyl-1-[methyl(2-methylpropoxy)phosphoryl]oxypropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

34
Patents

208.12283 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.13011 152.3
[M+Na]+ 231.11205 158.1
[M-H]- 207.11555 151.2
[M+NH4]+ 226.15665 172.0
[M+K]+ 247.08599 159.0
[M+H-H2O]+ 191.12009 145.4
[M+HCOO]- 253.12103 177.7
[M+CH3COO]- 267.13668 190.3
[M+Na-2H]- 229.09750 152.5
[M]+ 208.12228 158.4
[M]- 208.12338 158.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe