CID 23549048

4-(dimethylphosphoryl)butan-2-one

Structural Information

Molecular Formula

C₆H₁₃O₂P

SMILES

CC(=O)CCP(=O)(C)C

InChI

InChI=1S/C6H13O2P/c1-6(7)4-5-9(2,3)8/h4-5H2,1-3H3

InChIKey

RIGHEJIZWPJKJO-UHFFFAOYSA-N

Compound name

4-dimethylphosphorylbutan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 148.06532 Da
Monoisotopic Mass: -1.0
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]+	149.07260	133.3
[M+Na]+	171.05454	141.0
[M-H]-	147.05804	132.8
[M+NH4]+	166.09914	155.5
[M+K]+	187.02848	141.1
[M+H-H2O]+	131.06258	127.3
[M+HCOO]-	193.06352	160.7
[M+CH3COO]-	207.07917	177.3
[M+Na-2H]-	169.03999	136.3
[M]+	148.06477	136.9
[M]-	148.06587	136.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe