CID 157709165

2-(dimethylphosphoryl)propan-2-ol

Structural Information

Molecular Formula

C₅H₁₃O₂P

SMILES

CC(C)(O)P(=O)(C)C

InChI

InChI=1S/C5H13O2P/c1-5(2,6)8(3,4)7/h6H,1-4H3

InChIKey

CWCIECAZAREDEB-UHFFFAOYSA-N

Compound name

2-dimethylphosphorylpropan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 136.06532 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]+	137.07260	131.8
[M+Na]+	159.05454	139.9
[M-H]-	135.05804	130.3
[M+NH4]+	154.09914	154.0
[M+K]+	175.02848	139.8
[M+H-H2O]+	119.06258	126.7
[M+HCOO]-	181.06352	157.1
[M+CH3COO]-	195.07917	172.2
[M+Na-2H]-	157.03999	136.9
[M]+	136.06477	133.8
[M]-	136.06587	133.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe