CID 3073

Diisopropyl methylphosphonate

Structural Information

Molecular Formula

C₇H₁₇O₃P

SMILES

CC(C)OP(=O)(C)OC(C)C

InChI

InChI=1S/C7H17O3P/c1-6(2)9-11(5,8)10-7(3)4/h6-7H,1-5H3

InChIKey

WOAFDHWYKSOANX-UHFFFAOYSA-N

Compound name

2-[methyl(propan-2-yloxy)phosphoryl]oxypropane

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 60
References: 899
Patents: 180.09154 Da
Monoisotopic Mass: 0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	181.09882	142.4
[M+Na]+	203.08076	149.2
[M-H]-	179.08426	141.8
[M+NH4]+	198.12536	163.3
[M+K]+	219.05470	150.6
[M+H-H2O]+	163.08880	136.0
[M+HCOO]-	225.08974	168.5
[M+CH3COO]-	239.10539	184.2
[M+Na-2H]-	201.06621	143.8
[M]+	180.09099	147.8
[M]-	180.09209	147.8

Literature stripe

literature stripe

Patent stripe

patents stripe