CID 104465

53314-61-7

Structural Information

Molecular Formula

C₇H₁₇O₃P

SMILES

CC(C)COP(=O)(C)CCO

InChI

InChI=1S/C7H17O3P/c1-7(2)6-10-11(3,9)5-4-8/h7-8H,4-6H2,1-3H3

InChIKey

UDQBLBPJVKUWET-UHFFFAOYSA-N

Compound name

2-[methyl(2-methylpropoxy)phosphoryl]ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 180.09154 Da
Monoisotopic Mass: 0.1
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]+	181.098816	144.2
[M+Na]+	203.080758	150.7
[M-H]-	179.084264	142.0
[M+NH4]+	198.125363	164.4
[M+K]+	219.054698	150.6
[M+H-H2O]+	163.088800	137.8
[M+HCOO]-	225.089741	169.7
[M+CH3COO]-	239.105391	180.7
[M+Na-2H]-	201.066206	146.1
[M]+	180.09099142	148.2
[M]-	180.09208858	148.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe