CID 121693

30405-01-7

Structural Information

Molecular Formula

C₇H₁₇O₂P

SMILES

CCP(=O)(C)OCC(C)C

InChI

InChI=1S/C7H17O2P/c1-5-10(4,8)9-6-7(2)3/h7H,5-6H2,1-4H3

InChIKey

LAUOWESHBLLZHR-UHFFFAOYSA-N

Compound name

1-[ethyl(methyl)phosphoryl]oxy-2-methylpropane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 27
Patents: 164.09662 Da
Monoisotopic Mass: 1.1
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]+	165.10390	137.8
[M+Na]+	187.08584	146.8
[M+NH4]+	182.13044	144.7
[M+K]+	203.05978	142.6
[M-H]-	163.08934	135.8
[M+Na-2H]-	185.07129	140.2
[M]+	164.09607	138.2
[M]-	164.09717	138.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe