CID 57624838

866406-01-1

Structural Information

Molecular Formula

C₇H₁₃O₄P

SMILES

COP(=O)(CC(=O)C1CC1)OC

InChI

InChI=1S/C7H13O4P/c1-10-12(9,11-2)5-7(8)6-3-4-6/h6H,3-5H2,1-2H3

InChIKey

TVGXGWSSYJSVSI-UHFFFAOYSA-N

Compound name

1-cyclopropyl-2-dimethoxyphosphorylethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 47
Patents: 192.05515 Da
Monoisotopic Mass: 1.3
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]+	193.062426	143.2
[M+Na]+	215.044368	152.0
[M-H]-	191.047874	146.8
[M+NH4]+	210.088973	158.5
[M+K]+	231.018308	151.1
[M+H-H2O]+	175.052410	135.6
[M+HCOO]-	237.053351	170.5
[M+CH3COO]-	251.069001	186.1
[M+Na-2H]-	213.029816	146.3
[M]+	192.05460142	150.8
[M]-	192.05569858	150.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe