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	140.2
[M+Na]+	187.08584	147.2
[M-H]-	163.08934	139.5
[M+NH4]+	182.13044	161.8
[M+K]+	203.05978	147.6
[M+H-H2O]+	147.09388	133.9
[M+HCOO]-	209.09482	167.0
[M+CH3COO]-	223.11047	181.4
[M+Na-2H]-	185.07129	142.5
[M]+	164.09607	144.8
[M]-	164.09717	144.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe